6-azanyl-5-[[4-[(E)-2-(4-nitro-2-sulfo-phenyl)ethenyl]-3-sulfo-phenyl]diazenyl]naphthalene-1,3-disulfonic acid

Systemtic Name: 6-azanyl-5-[[4-[(E)-2-(4-nitro-2-sulfo-phenyl)ethenyl]-3-sulfo-phenyl]diazenyl]naphthalene-1,3-disulfonic acid Openeye Name: 6-amino-5-[4-[(E)-2-(4-nitro-2-sulfo-phenyl)vinyl]-3-sulfo-phenyl]azo-naphthalene-1,3-disulfonic acid CAS Name: 6-amino-5-[4-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]azonaphthalene-1,3-disulfonic acid IUPAC Name: 6-amino-5-[[4-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]diazenyl]naphthalene-1,3-disulfonic acid Traditional Name: 6-amino-5-[4-[(E)-2-(4-nitro-2-sulfo-phenyl)vinyl]-3-sulfo-phenyl]azo-naphthalene-1,3-disulfonic acid Formula: C24H18N4O14S4 MolecularWeight: 714.67812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=NC2=C(C=CC3=C(C=C(C=C32)S(=O)(=O)O)S(=O)(=O)O)N)S(=O)(=O)O)C=CC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N=NC2=C(C=CC3=C(C=C(C=C32)S(=O)(=O)O)S(=O)(=O)O)N)S(=O)(=O)O)/C=C/C4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C24H18N4O14S4/c25-20-8-7-18-19(11-17(43(31,32)33)12-23(18)46(40,41)42)24(20)27-26-15-5-3-13(21(9-15)44(34,35)36)1-2-14-4-6-16(28(29)30)10-22(14)45(37,38)39/h1-12H,25H2,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)/b2-1+,27-26?