(E)-3-[4-(carboxymethylsulfanyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(carboxymethylsulfanyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(carboxymethylsulfanyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(carboxymethylthio)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(carboxymethylsulfanyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(carboxymethylthio)phenyl]acrylic acid Formula: C11H10O4S MolecularWeight: 238.2597

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)O)SCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)O)SCC(=O)O

InChI

InChI=1S/C11H10O4S/c12-10(13)6-3-8-1-4-9(5-2-8)16-7-11(14)15/h1-6H,7H2,(H,12,13)(H,14,15)/b6-3+