2-[1-(4-methoxyphenyl)propan-2-ylsulfanyl]butanedioic acid

Systemtic Name: 2-[1-(4-methoxyphenyl)propan-2-ylsulfanyl]butanedioic acid Openeye Name: 2-[2-(4-methoxyphenyl)-1-methyl-ethyl]sulfanylbutanedioic acid CAS Name: 2-[1-(4-methoxyphenyl)propan-2-ylthio]butanedioic acid IUPAC Name: 2-[1-(4-methoxyphenyl)propan-2-ylsulfanyl]butanedioic acid Traditional Name: 2-[[2-(4-methoxyphenyl)-1-methyl-ethyl]thio]succinic acid Formula: C14H18O5S MolecularWeight: 298.35472

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OC)SC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)OC)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C14H18O5S/c1-9(20-12(14(17)18)8-13(15)16)7-10-3-5-11(19-2)6-4-10/h3-6,9,12H,7-8H2,1-2H3,(H,15,16)(H,17,18)