3-[(3-carboxy-4-nitro-2-sulfo-phenyl)disulfanyl]-6-nitro-2-sulfo-benzoic acid

Systemtic Name: 3-[(3-carboxy-4-nitro-2-sulfo-phenyl)disulfanyl]-6-nitro-2-sulfo-benzoic acid Openeye Name: 3-[(3-carboxy-4-nitro-2-sulfo-phenyl)disulfanyl]-6-nitro-2-sulfo-benzoic acid CAS Name: 3-[(3-carboxy-4-nitro-2-sulfophenyl)disulfanyl]-6-nitro-2-sulfobenzoic acid IUPAC Name: 3-[(3-carboxy-4-nitro-2-sulfophenyl)disulfanyl]-6-nitro-2-sulfobenzoic acid Traditional Name: 3-[(3-carboxy-4-nitro-2-sulfo-phenyl)disulfanyl]-6-nitro-2-sulfo-benzoic acid Formula: C14H8N2O14S4 MolecularWeight: 556.47832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1[N+](=O)[O-])C(=O)O)S(=O)(=O)O)SSC2=C(C(=C(C=C2)[N+](=O)[O-])C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1[N+](=O)[O-])C(=O)O)S(=O)(=O)O)SSC2=C(C(=C(C=C2)[N+](=O)[O-])C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H8N2O14S4/c17-13(18)9-5(15(21)22)1-3-7(11(9)33(25,26)27)31-32-8-4-2-6(16(23)24)10(14(19)20)12(8)34(28,29)30/h1-4H,(H,17,18)(H,19,20)(H,25,26,27)(H,28,29,30)