5-azanyl-3-(2-carboxyphenyl)sulfanyl-phthalic acid

Systemtic Name: 5-azanyl-3-(2-carboxyphenyl)sulfanyl-phthalic acid Openeye Name: 5-amino-3-(2-carboxyphenyl)sulfanyl-phthalic acid CAS Name: 5-amino-3-[(2-carboxyphenyl)thio]phthalic acid IUPAC Name: 5-amino-3-(2-carboxyphenyl)sulfanylphthalic acid Traditional Name: 5-amino-3-[(2-carboxyphenyl)thio]phthalic acid Formula: C15H11NO6S MolecularWeight: 333.31594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SC2=C(C(=CC(=C2)N)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SC2=C(C(=CC(=C2)N)C(=O)O)C(=O)O

InChI

InChI=1S/C15H11NO6S/c16-7-5-9(14(19)20)12(15(21)22)11(6-7)23-10-4-2-1-3-8(10)13(17)18/h1-6H,16H2,(H,17,18)(H,19,20)(H,21,22)