2-[(2-carboxy-5-methoxy-phenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid

Systemtic Name: 2-[(2-carboxy-5-methoxy-phenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid Openeye Name: 2-[(2-carboxy-5-methoxy-phenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid CAS Name: 2-[(2-carboxy-5-methoxyphenyl)methoxy]-6-(2-mercaptoethyl)benzoic acid IUPAC Name: 2-[(2-carboxy-5-methoxyphenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid Traditional Name: 2-(2-carboxy-5-methoxy-benzyl)oxy-6-(2-mercaptoethyl)benzoic acid Formula: C18H18O6S MolecularWeight: 362.39692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)O)COC2=CC=CC(=C2C(=O)O)CCS

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)O)COC2=CC=CC(=C2C(=O)O)CCS

InChI

InChI=1S/C18H18O6S/c1-23-13-5-6-14(17(19)20)12(9-13)10-24-15-4-2-3-11(7-8-25)16(15)18(21)22/h2-6,9,25H,7-8,10H2,1H3,(H,19,20)(H,21,22)