sodium 4-[[4-(ethylamino)-3-methyl-phenyl]-(4-ethylimino-3-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfo-benzenesulfonate

Systemtic Name: sodium 4-[[4-(ethylamino)-3-methyl-phenyl]-(4-ethylimino-3-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfo-benzenesulfonate Openeye Name: sodium 4-[[4-(ethylamino)-3-methyl-phenyl]-(4-ethylimino-3-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfo-benzenesulfonate CAS Name: sodium 4-[[4-(ethylamino)-3-methylphenyl]-(4-ethylimino-3-methyl-1-cyclohexa-2,5-dienylidene)methyl]-3-sulfobenzenesulfonate IUPAC Name: sodium 4-[[4-(ethylamino)-3-methylphenyl]-(4-ethylimino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfobenzenesulfonate Traditional Name: sodium 4-[[4-(ethylamino)-3-methyl-phenyl]-(4-ethylimino-3-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfo-besylate Formula: C25H27N2NaO6S2 MolecularWeight: 538.61145

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=C2C=CC(=NCC)C(=C2)C)C3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)O)C.[Na+]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=C2C=CC(=NCC)C(=C2)C)C3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)O)C.[Na+]

InChI

InChI=1S/C25H28N2O6S2.Na/c1-5-26-22-11-7-18(13-16(22)3)25(19-8-12-23(27-6-2)17(4)14-19)21-10-9-20(34(28,29)30)15-24(21)35(31,32)33;/h7-15,26H,5-6H2,1-4H3,(H,28,29,30)(H,31,32,33);/q;+1/p-1