3-[2-[4-[1-[4-[2-[1,7-bis(oxidanylidene)-3-sulfo-naphthalen-2-yl]hydrazinyl]-3-methyl-phenyl]cyclohexyl]-2-methyl-phenyl]hydrazinyl]-4,6-bis(oxidanylidene)naphthalene-2-sulfonic acid

Systemtic Name: 3-[2-[4-[1-[4-[2-[1,7-bis(oxidanylidene)-3-sulfo-naphthalen-2-yl]hydrazinyl]-3-methyl-phenyl]cyclohexyl]-2-methyl-phenyl]hydrazinyl]-4,6-bis(oxidanylidene)naphthalene-2-sulfonic acid Openeye Name: 3-[2-[4-[1-[4-[2-(1,7-dioxo-3-sulfo-2-naphthyl)hydrazino]-3-methyl-phenyl]cyclohexyl]-2-methyl-phenyl]hydrazino]-4,6-dioxo-naphthalene-2-sulfonic acid CAS Name: 3-[[4-[1-[4-[(1,7-dioxo-3-sulfo-2-naphthalenyl)hydrazo]-3-methylphenyl]cyclohexyl]-2-methylphenyl]hydrazo]-4,6-dioxo-2-naphthalenesulfonic acid IUPAC Name: 3-[2-[4-[1-[4-[2-(1,7-dioxo-3-sulfonaphthalen-2-yl)hydrazinyl]-3-methylphenyl]cyclohexyl]-2-methylphenyl]hydrazinyl]-4,6-dioxonaphthalene-2-sulfonic acid Traditional Name: 3-[N'-[4-[1-[4-[N'-(1,7-diketo-3-sulfo-2-naphthyl)hydrazino]-3-methyl-phenyl]cyclohexyl]-2-methyl-phenyl]hydrazino]-4,6-diketo-naphthalene-2-sulfonic acid Formula: C40H36N4O10S2 MolecularWeight: 796.86464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2(CCCCC2)C3=CC(=C(C=C3)NNC4=C(C=C5C=CC(=O)C=C5C4=O)S(=O)(=O)O)C)NNC6=C(C=C7C=CC(=O)C=C7C6=O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2(CCCCC2)C3=CC(=C(C=C3)NNC4=C(C=C5C=CC(=O)C=C5C4=O)S(=O)(=O)O)C)NNC6=C(C=C7C=CC(=O)C=C7C6=O)S(=O)(=O)O

InChI

InChI=1S/C40H36N4O10S2/c1-22-16-26(8-12-32(22)41-43-36-34(55(49,50)51)18-24-6-10-28(45)20-30(24)38(36)47)40(14-4-3-5-15-40)27-9-13-33(23(2)17-27)42-44-37-35(56(52,53)54)19-25-7-11-29(46)21-31(25)39(37)48/h6-13,16-21,41-44H,3-5,14-15H2,1-2H3,(H,49,50,51)(H,52,53,54)