8-[(4-azanyl-3-methoxy-phenyl)diazenyl]-6-ethoxy-5-[2-(2-oxidanylidene-6-sulfonato-naphthalen-1-ylidene)hydrazinyl]naphthalene-2-sulfonate

Systemtic Name: 8-[(4-azanyl-3-methoxy-phenyl)diazenyl]-6-ethoxy-5-[2-(2-oxidanylidene-6-sulfonato-naphthalen-1-ylidene)hydrazinyl]naphthalene-2-sulfonate Openeye Name: 8-(4-amino-3-methoxy-phenyl)azo-6-ethoxy-5-[2-(2-oxo-6-sulfonato-1-naphthylidene)hydrazino]naphthalene-2-sulfonate CAS Name: 8-(4-amino-3-methoxyphenyl)azo-6-ethoxy-5-[2-(2-oxo-6-sulfonato-1-naphthalenylidene)hydrazinyl]-2-naphthalenesulfonate IUPAC Name: 8-[(4-amino-3-methoxyphenyl)diazenyl]-6-ethoxy-5-[2-(2-oxo-6-sulfonatonaphthalen-1-ylidene)hydrazinyl]naphthalene-2-sulfonate Traditional Name: 8-(4-amino-3-methoxy-phenyl)azo-6-ethoxy-5-[N'-(2-keto-6-sulfonato-1-naphthylidene)hydrazino]naphthalene-2-sulfonate Formula: C29H23N5O9S2-2 MolecularWeight: 649.65102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=C(C=C(C=C2)S(=O)(=O)[O-])C(=C1)N=NC3=CC(=C(C=C3)N)OC)NN=C4C5=C(C=CC4=O)C=C(C=C5)S(=O)(=O)[O-]

Isomeric SMILES

CCOC1=C(C2=C(C=C(C=C2)S(=O)(=O)[O-])C(=C1)N=NC3=CC(=C(C=C3)N)OC)NN=C4C5=C(C=CC4=O)C=C(C=C5)S(=O)(=O)[O-]

InChI

InChI=1S/C29H25N5O9S2/c1-3-43-27-15-24(32-31-17-5-10-23(30)26(13-17)42-2)22-14-19(45(39,40)41)7-9-21(22)29(27)34-33-28-20-8-6-18(44(36,37)38)12-16(20)4-11-25(28)35/h4-15,34H,3,30H2,1-2H3,(H,36,37,38)(H,39,40,41)/p-2