5-azanyl-2-[(E)-2-[4-[[4-[(E)-2-(4-azanyl-2-sulfo-phenyl)ethenyl]-3-sulfo-phenyl]diazenyl]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid; sodium

Systemtic Name: 5-azanyl-2-[(E)-2-[4-[[4-[(E)-2-(4-azanyl-2-sulfo-phenyl)ethenyl]-3-sulfo-phenyl]diazenyl]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid; sodium Openeye Name: 5-amino-2-[(E)-2-[4-[4-[(E)-2-(4-amino-2-sulfo-phenyl)vinyl]-3-sulfo-phenyl]azo-2-sulfo-phenyl]vinyl]benzenesulfonic acid; sodium CAS Name: 5-amino-2-[(E)-2-[4-[4-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]-3-sulfophenyl]azo-2-sulfophenyl]ethenyl]benzenesulfonic acid; sodium IUPAC Name: 5-amino-2-[(E)-2-[4-[[4-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]-3-sulfophenyl]diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid; sodium Traditional Name: 5-amino-2-[(E)-2-[4-[4-[(E)-2-(4-amino-2-sulfo-phenyl)vinyl]-3-sulfo-phenyl]azo-2-sulfo-phenyl]vinyl]besylic acid; sodium Formula: C28H24N4NaO12S4 MolecularWeight: 759.75953

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O)/C=C/C2=C(C=C(C=C2)N=NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na]

InChI

InChI=1S/C28H24N4O12S4.Na/c29-21-9-5-17(25(13-21)45(33,34)35)1-3-19-7-11-23(15-27(19)47(39,40)41)31-32-24-12-8-20(28(16-24)48(42,43)44)4-2-18-6-10-22(30)14-26(18)46(36,37)38;/h1-16H,29-30H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44);/b3-1+,4-2+,32-31?;