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

Systemtic Name: (E)-3-[3-methoxy-4-(4-phenylsulfanylbutoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-methoxy-4-(4-phenylsulfanylbutoxy)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-methoxy-4-[4-(phenylthio)butoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-methoxy-4-(4-phenylsulfanylbutoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-methoxy-4-[4-(phenylthio)butoxy]phenyl]acrylic acid Formula: C20H22O4S MolecularWeight: 358.45128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)O)OCCCCSC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)O)OCCCCSC2=CC=CC=C2

InChI

InChI=1S/C20H22O4S/c1-23-19-15-16(10-12-20(21)22)9-11-18(19)24-13-5-6-14-25-17-7-3-2-4-8-17/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,21,22)/b12-10+