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methyl-[4-[(5-oxidanyl-2,4-disulfo-phenyl)-[4-[(4-sulfophenyl)methylamino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(phenylmethyl)azanium

methyl-[4-[(5-oxidanyl-2,4-disulfo-phenyl)-[4-[(4-sulfophenyl)methylamino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(phenylmethyl)azanium

Systemtic Name:methyl-[4-[(5-oxidanyl-2,4-disulfo-phenyl)-[4-[(4-sulfophenyl)methylamino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(phenylmethyl)azanium
Openeye Name:benzyl-[4-[(5-hydroxy-2,4-disulfo-phenyl)-[4-[(4-sulfophenyl)methylamino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-methyl-ammonium
CAS Name:[4-[(5-hydroxy-2,4-disulfophenyl)-[4-[(4-sulfophenyl)methylamino]phenyl]methylidene]-1-cyclohexa-2,5-dienylidene]-methyl-(phenylmethyl)ammonium
IUPAC Name:benzyl-[4-[(5-hydroxy-2,4-disulfophenyl)-[4-[(4-sulfophenyl)methylamino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium
Traditional Name:benzyl-[4-[(5-hydroxy-2,4-disulfo-phenyl)-[4-[(4-sulfobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-methyl-ammonium
Formula: C34H31N2O10S3+
MolecularWeight: 723.81234
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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C1C=CC(=C(C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)O)C4=CC(=C(C=C4S(=O)(=O)O)S(=O)(=O)O)O)C=C1)CC5=CC=CC=C5


Isomeric SMILES

C[N+](=C1C=CC(=C(C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)O)C4=CC(=C(C=C4S(=O)(=O)O)S(=O)(=O)O)O)C=C1)CC5=CC=CC=C5


InChI

InChI=1S/C34H30N2O10S3/c1-36(22-24-5-3-2-4-6-24)28-15-11-26(12-16-28)34(30-19-31(37)33(49(44,45)46)20-32(30)48(41,42)43)25-9-13-27(14-10-25)35-21-23-7-17-29(18-8-23)47(38,39)40/h2-20H,21-22H2,1H3,(H4,37,38,39,40,41,42,43,44,45,46)/p+1


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Name: methyl-[4-[(5-oxidanyl-2,4-disulfo-phenyl)-[4-[(4-sulfophenyl)methylamino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(phenylmethyl)azanium

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