2-[[4-[(4-azanyl-3-methyl-phenyl)-[4-(1-sulfonaphthalen-2-yl)iminocyclohexa-2,5-dien-1-ylidene]methyl]phenyl]amino]naphthalene-1-sulfonic acid

Systemtic Name: 2-[[4-[(4-azanyl-3-methyl-phenyl)-[4-(1-sulfonaphthalen-2-yl)iminocyclohexa-2,5-dien-1-ylidene]methyl]phenyl]amino]naphthalene-1-sulfonic acid Openeye Name: 2-[4-[(4-amino-3-methyl-phenyl)-[4-[(1-sulfo-2-naphthyl)imino]cyclohexa-2,5-dien-1-ylidene]methyl]anilino]naphthalene-1-sulfonic acid CAS Name: 2-[4-[(4-amino-3-methylphenyl)-[4-[(1-sulfo-2-naphthalenyl)imino]-1-cyclohexa-2,5-dienylidene]methyl]anilino]-1-naphthalenesulfonic acid IUPAC Name: 2-[4-[(4-amino-3-methylphenyl)-[4-(1-sulfonaphthalen-2-yl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]naphthalene-1-sulfonic acid Traditional Name: 2-[4-[(4-amino-3-methyl-phenyl)-[4-[(1-sulfo-2-naphthyl)imino]cyclohexa-2,5-dien-1-ylidene]methyl]anilino]naphthalene-1-sulfonic acid Formula: C40H31N3O6S2 MolecularWeight: 713.82064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=C2C=CC(=NC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)O)C=C2)C5=CC=C(C=C5)NC6=C(C7=CC=CC=C7C=C6)S(=O)(=O)O)N

Isomeric SMILES

CC1=C(C=CC(=C1)C(=C2C=CC(=NC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)O)C=C2)C5=CC=C(C=C5)NC6=C(C7=CC=CC=C7C=C6)S(=O)(=O)O)N

InChI

InChI=1S/C40H31N3O6S2/c1-25-24-30(14-21-35(25)41)38(28-10-17-31(18-11-28)42-36-22-15-26-6-2-4-8-33(26)39(36)50(44,45)46)29-12-19-32(20-13-29)43-37-23-16-27-7-3-5-9-34(27)40(37)51(47,48)49/h2-24,42H,41H2,1H3,(H,44,45,46)(H,47,48,49)