trisodium 4-azanyl-3-[[4-[(E)-2-(4-nitro-2-sulfonato-phenyl)ethenyl]-3-sulfonato-phenyl]diazenyl]naphthalene-1-sulfonate

Systemtic Name: trisodium 4-azanyl-3-[[4-[(E)-2-(4-nitro-2-sulfonato-phenyl)ethenyl]-3-sulfonato-phenyl]diazenyl]naphthalene-1-sulfonate Openeye Name: trisodium 4-amino-3-[4-[(E)-2-(4-nitro-2-sulfonato-phenyl)vinyl]-3-sulfonato-phenyl]azo-naphthalene-1-sulfonate CAS Name: trisodium 4-amino-3-[4-[(E)-2-(4-nitro-2-sulfonatophenyl)ethenyl]-3-sulfonatophenyl]azo-1-naphthalenesulfonate IUPAC Name: trisodium 4-amino-3-[[4-[(E)-2-(4-nitro-2-sulfonatophenyl)ethenyl]-3-sulfonatophenyl]diazenyl]naphthalene-1-sulfonate Traditional Name: trisodium 4-amino-3-[4-[(E)-2-(4-nitro-2-sulfonato-phenyl)vinyl]-3-sulfonato-phenyl]azo-naphthalene-1-sulfonate Formula: C24H15N4Na3O11S3 MolecularWeight: 700.56041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C24H18N4O11S3.3Na/c25-24-19-4-2-1-3-18(19)23(42(37,38)39)13-20(24)27-26-16-9-7-14(21(11-16)40(31,32)33)5-6-15-8-10-17(28(29)30)12-22(15)41(34,35)36;;;/h1-13H,25H2,(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3/b6-5+,27-26?;;;