6-carboxy-2-[(3-carboxy-2-sulfinato-phenyl)-methyl-amino]-3-methyl-benzenesulfinate

Systemtic Name: 6-carboxy-2-[(3-carboxy-2-sulfinato-phenyl)-methyl-amino]-3-methyl-benzenesulfinate Openeye Name: 6-carboxy-2-(3-carboxy-N-methyl-2-sulfinato-anilino)-3-methyl-benzenesulfinate CAS Name: 6-carboxy-2-(3-carboxy-N-methyl-2-sulfinatoanilino)-3-methylbenzenesulfinate IUPAC Name: 6-carboxy-2-(3-carboxy-N-methyl-2-sulfinatoanilino)-3-methylbenzenesulfinate Traditional Name: 6-carboxy-2-(3-carboxy-N-methyl-2-sulfinato-anilino)-3-methyl-benzenesulfinate Formula: C16H13NO8S2-2 MolecularWeight: 411.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)O)S(=O)[O-])N(C)C2=CC=CC(=C2S(=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)O)S(=O)[O-])N(C)C2=CC=CC(=C2S(=O)[O-])C(=O)O

InChI

InChI=1S/C16H15NO8S2/c1-8-6-7-10(16(20)21)14(27(24)25)12(8)17(2)11-5-3-4-9(15(18)19)13(11)26(22)23/h3-7H,1-2H3,(H,18,19)(H,20,21)(H,22,23)(H,24,25)/p-2