2-[6-(2-carboxyethyl)-3-methoxy-2-(4-methylphenyl)sulfonyloxy-phenyl]butanedioic acid

Systemtic Name: 2-[6-(2-carboxyethyl)-3-methoxy-2-(4-methylphenyl)sulfonyloxy-phenyl]butanedioic acid Openeye Name: 2-[6-(2-carboxyethyl)-3-methoxy-2-(p-tolylsulfonyloxy)phenyl]butanedioic acid CAS Name: 2-[6-(2-carboxyethyl)-3-methoxy-2-(4-methylphenyl)sulfonyloxyphenyl]butanedioic acid IUPAC Name: 2-[6-(2-carboxyethyl)-3-methoxy-2-(4-methylphenyl)sulfonyloxyphenyl]butanedioic acid Traditional Name: 2-[6-(2-carboxyethyl)-3-methoxy-2-tosyloxy-phenyl]succinic acid Formula: C21H22O10S MolecularWeight: 466.45838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2C(CC(=O)O)C(=O)O)CCC(=O)O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2C(CC(=O)O)C(=O)O)CCC(=O)O)OC

InChI

InChI=1S/C21H22O10S/c1-12-3-7-14(8-4-12)32(28,29)31-20-16(30-2)9-5-13(6-10-17(22)23)19(20)15(21(26)27)11-18(24)25/h3-5,7-9,15H,6,10-11H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)