(3Z)-5-azanyl-3-[(5-azanyl-4-methoxy-2-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-6-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid

Systemtic Name: (3Z)-5-azanyl-3-[(5-azanyl-4-methoxy-2-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-6-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid Openeye Name: (3Z)-5-amino-3-[(5-amino-4-methoxy-2-sulfo-phenyl)hydrazono]-4-oxo-6-[(1-sulfo-2-naphthyl)azo]naphthalene-2,7-disulfonic acid CAS Name: (3Z)-5-amino-3-[(5-amino-4-methoxy-2-sulfophenyl)hydrazinylidene]-4-oxo-6-[(1-sulfo-2-naphthalenyl)azo]naphthalene-2,7-disulfonic acid IUPAC Name: (3Z)-5-amino-3-[(5-amino-4-methoxy-2-sulfophenyl)hydrazinylidene]-4-oxo-6-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid Traditional Name: (3Z)-5-amino-3-[(5-amino-4-methoxy-2-sulfo-phenyl)hydrazono]-4-keto-6-[(1-sulfo-2-naphthyl)azo]naphthalene-2,7-disulfonic acid Formula: C27H22N6O14S4 MolecularWeight: 782.75538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1N)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=C(C5=CC=CC=C5C=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1N)N/N=C/2\C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=C(C5=CC=CC=C5C=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C27H22N6O14S4/c1-47-18-11-19(48(35,36)37)17(10-15(18)28)31-33-25-21(50(41,42)43)9-13-8-20(49(38,39)40)24(23(29)22(13)26(25)34)32-30-16-7-6-12-4-2-3-5-14(12)27(16)51(44,45)46/h2-11,31H,28-29H2,1H3,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)/b32-30?,33-25+