2-[(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylphenyl)methyl]-5-sulfo-benzenesulfonate

Systemtic Name: 2-[(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylphenyl)methyl]-5-sulfo-benzenesulfonate Openeye Name: 2-[(4-diethyliminiocyclohexa-2,5-dien-1-ylidene)-(p-tolyl)methyl]-5-sulfo-benzenesulfonate CAS Name: 2-[(4-diethyliminio-1-cyclohexa-2,5-dienylidene)-(4-methylphenyl)methyl]-5-sulfobenzenesulfonate IUPAC Name: 2-[(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylphenyl)methyl]-5-sulfobenzenesulfonate Traditional Name: 2-[(4-diethyliminiocyclohexa-2,5-dien-1-ylidene)-(p-tolyl)methyl]-5-sulfo-besylate Formula: C24H25NO6S2 MolecularWeight: 487.5884

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](=C1C=CC(=C(C2=CC=C(C=C2)C)C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)[O-])C=C1)CC

Isomeric SMILES

CC[N+](=C1C=CC(=C(C2=CC=C(C=C2)C)C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)[O-])C=C1)CC

InChI

InChI=1S/C24H25NO6S2/c1-4-25(5-2)20-12-10-19(11-13-20)24(18-8-6-17(3)7-9-18)22-15-14-21(32(26,27)28)16-23(22)33(29,30)31/h6-16H,4-5H2,1-3H3,(H-,26,27,28,29,30,31)