EINECS 229-392-3 structure

EINECS 229-392-3

(13E)-13-(8-oxo-14-thiapentacyclo[10.5.2.02,7.09,18.015,19]nonadeca-1(17),2,4,6,9(18),10,12(19),15-octaen-13-ylidene)-14-thiapentacyclo[10.5.2.02,7.09,18.015,19]nonadeca-1(17),2,4,6,9(18),10,12(19),15-octaen-8-one

Also Known As: EINECS 229-392-3|2-(5-Oxobenzo(4,5)phenaleno(1,9-bc)thien-2(5H)-ylidene)benzo(4,5)phenaleno(1,9-bc)thiophen-5(2H)-one|2-(5-oxobenzo[4,5]phenaleno[1,9-bc]thien-2(5H)-ylidenebenzo[4,5]phenaleno[1,9-bc]thiophen-5(2H)-one|Benzo(4,5)phenaleno(1,9-bc)thiophen-5(2H)-one, 2-(5-oxobenzo(4,5)phenaleno(1,9-bc)thien-2(5H)-ylidene)-|[.delta.2,2'(5H,5'H)-Bibenzo[4,5]phenaleno[1,9-bc]thiophene]-5,5'-dione|(2E)-2-(5-Oxobenzo[4,5]phenaleno[1,9-bc]thiophen-2(5H)-ylidene)benzo[4,5]phenaleno[1,9-bc]thiophen-5(2H)-one|2-(5-Oxobenzo[4,5]phenaleno[1,9-bc]thiophen-2(5H)-ylidene)benzo[4,5]phenaleno[1,9-bc]thiophen-5(2H)-one|Benzo[4,5]phenaleno[1,9-bc]thiophen-5(2H)-one, 2-(5-oxobenzo[4,5]phenaleno[ 1,9-bc]thien-2(5H)-ylidene)-|Benzo[4,5]phenaleno[1,9-bc]thiophen-5(2H)-one, 2-(5-oxobenzo[4,5]phenaleno[1,9-bc]thien-2(5H)-ylidene)-

CAS: 6505-58-4
Molecular Formula C36H16O2S2
Molecular Weight 544.05914 g/mol
LogP 9.56998
Topological Polar Surface Area 34.14 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 0
Exact Mass 544.05914
Monoisotopic Mass 544.05914
Heavy Atoms 40
Complexity 2400.9897

Chemical Identifiers

CAS Number 6505-58-4
SMILES C1=CC=C2C(=C1)C3=CC=C4C5=C(C=CC(=C35)C2=O)/C(=C\6/C7=C8C(=CC=C9C8=C(C=C7)C(=O)C1=CC=CC=C19)S6)/S4

Product Overview

EINECS 229-392-3 (CAS 6505-58-4), with molecular formula C36H16O2S2 and molecular weight 544.05914 g/mol. IUPAC: (13E)-13-(8-oxo-14-thiapentacyclo[10.5.2.02,7.09,18.015,19]nonadeca-1(17),2,4,6,9(18),10,12(19),15-octaen-13-ylidene)-14-thiapentacyclo[10.5.2.02,7.09,18.015,19]nonadeca-1(17),2,4,6,9(18),10,12(19),15-octaen-8-one.

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