6-azanylidene-5-[2-[4-[4-(decoxycarbonylamino)-2-methyl-phenyl]-5-methyl-2-sulfo-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: 6-azanylidene-5-[2-[4-[4-(decoxycarbonylamino)-2-methyl-phenyl]-5-methyl-2-sulfo-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: 5-[2-[4-[4-(decoxycarbonylamino)-2-methyl-phenyl]-5-methyl-2-sulfo-phenyl]hydrazino]-6-imino-4-oxo-naphthalene-2-sulfonic acid CAS Name: 5-[[4-[4-[[decoxy(oxo)methyl]amino]-2-methylphenyl]-5-methyl-2-sulfophenyl]hydrazo]-6-imino-4-oxo-2-naphthalenesulfonic acid IUPAC Name: 5-[2-[4-[4-(decoxycarbonylamino)-2-methylphenyl]-5-methyl-2-sulfophenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonic acid Traditional Name: 5-[N'-[4-[4-(decoxycarbonylamino)-2-methyl-phenyl]-5-methyl-2-sulfo-phenyl]hydrazino]-6-imino-4-keto-naphthalene-2-sulfonic acid Formula: C35H42N4O9S2 MolecularWeight: 726.85938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)NC1=CC(=C(C=C1)C2=CC(=C(C=C2C)NNC3=C4C(=CC(=CC4=O)S(=O)(=O)O)C=CC3=N)S(=O)(=O)O)C

Isomeric SMILES

CCCCCCCCCCOC(=O)NC1=CC(=C(C=C1)C2=CC(=C(C=C2C)NNC3=C4C(=CC(=CC4=O)S(=O)(=O)O)C=CC3=N)S(=O)(=O)O)C

InChI

InChI=1S/C35H42N4O9S2/c1-4-5-6-7-8-9-10-11-16-48-35(41)37-25-13-14-27(22(2)17-25)28-21-32(50(45,46)47)30(18-23(28)3)38-39-34-29(36)15-12-24-19-26(49(42,43)44)20-31(40)33(24)34/h12-15,17-21,36,38-39H,4-11,16H2,1-3H3,(H,37,41)(H,42,43,44)(H,45,46,47)