2-(2,6-dicarboxyphenyl)sulfanylbenzene-1,3-dicarboxylic acid

Systemtic Name: 2-(2,6-dicarboxyphenyl)sulfanylbenzene-1,3-dicarboxylic acid Openeye Name: 2-(2,6-dicarboxyphenyl)sulfanylbenzene-1,3-dicarboxylic acid CAS Name: 2-[(2,6-dicarboxyphenyl)thio]benzene-1,3-dicarboxylic acid IUPAC Name: 2-(2,6-dicarboxyphenyl)sulfanylbenzene-1,3-dicarboxylic acid Traditional Name: 2-[(2,6-dicarboxyphenyl)thio]isophthalic acid Formula: C16H10O8S MolecularWeight: 362.3108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(=O)O)SC2=C(C=CC=C2C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)C(=O)O)SC2=C(C=CC=C2C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C16H10O8S/c17-13(18)7-3-1-4-8(14(19)20)11(7)25-12-9(15(21)22)5-2-6-10(12)16(23)24/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)