Compound C37H36N2O6S2

3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-phenylmethyl]anilino]methyl]benzenesulfonate

CAS: 6638-02-4

Molecular Formula	`C37H36N2O6S2`
Molecular Weight	668.8 g/mol
LogP	6.0
Topological Polar Surface Area	135.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	10
Exact Mass	668.2015
Heavy Atoms	47
Complexity	1360.0

Chemical Identifiers

CAS Number	6638-02-4
SMILES	`CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3)C5=CC=CC=C5`
InChIKey	`SRRJCDUOSQWHGS-UHFFFAOYSA-N`

📖 Product Overview

Compound C37H36N2O6S2 (CAS: 6638-02-4) is a chemical compound with molecular formula C37H36N2O6S2 and molecular weight 668.8 g/mol. Its IUPAC systematic name is 3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-phenylmethyl]anilino]methyl]benzenesulfonate. LogP 6.0 Topological Polar Surface Area 135.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 10 Exact Mass 668.2015 Heavy Atoms 47 Complexity 1360.0 InChI Key: SRRJCDUOSQWHGS-UHFFFAOYSA-N. SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3)C5=CC=CC=C5.

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