Sulfur red 11

[3-[6,8,17,19-tetraoxo-18-(3-thiocyanatophenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenyl] thiocyanate

Also Known As: Sulfur red 11|Sulphur Red 11|EINECS 267-761-0|C.I.Sulphur Red 14|KST-1A8595|(1,3,8,10-tetraoxo-1,3,8,10-tetrahydroisoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-2,9-diyl)dibenzene-3,1-diyl bis(thiocyanate)|[3-[6,8,17,19-tetraoxo-18-(3-thiocyanatophenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenyl] thiocyanate|Thiocyanic acid, (1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-2,9-diyl)di-3,1-phenylene ester|Thiocyanic acid, C,C'-((1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-2,9-diyl)di-3,1-phenylene) ester|[1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-2,9-diyl]di-m-phenylene bis(thiocyanate)|Thiocyanic acid, (1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-2,9-diyl)di-3,1-phenylene ester|(1,3,8,10-Tetrahydro-1,3,8,10-tetraoxoanthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-2,9-diyl)di-m-phenylene bis(thiocyanate)|(1,3,8,10-Tetraoxo-1,3,8,10-tetrahydroisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-2,9-diyl)di(3,1-phenylene) bis(thiocyanate)|[(1,3,8,10-Tetrahydro-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d e f ]diisoquinoline)-2,9-diyl]di-3,1-phenylenedi(thiocyanate)|[(3-{18-[3-(cyanosulfanyl)phenyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl}phenyl)sulfanyl]formonitrile|Thiocyanic acid, (3,10-dihydro-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-2,9(1H,8H)-diyl)di-3,1-phenylene ester|Thiocyanic acid, C,C'-[(1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-2,9-diyl)di-3,1-phenylene] ester

Molecular Formula	C38H16N4O4S2
Molecular Weight	656.0613 g/mol
LogP	8.48
Topological Polar Surface Area	122.34 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	4
Exact Mass	656.0613
Heavy Atoms	48
Complexity	2452.9

Chemical Identifiers

CAS Number	67923-45-9
SMILES	C1=CC(=CC(=C1)SC#N)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=CC(=CC=C9)SC#N)C2=O