2-(2-carboxyphenyl)sulfinyl-5-methoxy-benzoic acid dihydrate

Systemtic Name: 2-(2-carboxyphenyl)sulfinyl-5-methoxy-benzoic acid dihydrate Openeye Name: 2-(2-carboxyphenyl)sulfinyl-5-methoxy-benzoic acid dihydrate CAS Name: 2-(2-carboxyphenyl)sulfinyl-5-methoxybenzoic acid dihydrate IUPAC Name: 2-(2-carboxyphenyl)sulfinyl-5-methoxybenzoic acid dihydrate Traditional Name: 2-(2-carboxyphenyl)sulfinyl-5-methoxy-benzoic acid dihydrate Formula: C15H16O8S MolecularWeight: 356.34774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)C2=CC=CC=C2C(=O)O)C(=O)O.O.O

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)C2=CC=CC=C2C(=O)O)C(=O)O.O.O

InChI

InChI=1S/C15H12O6S.2H2O/c1-21-9-6-7-13(11(8-9)15(18)19)22(20)12-5-3-2-4-10(12)14(16)17;;/h2-8H,1H3,(H,16,17)(H,18,19);2*1H2