(E)-3-[3-methoxy-4-[4-(4-propan-2-ylphenyl)sulfanylbutoxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-methoxy-4-[4-(4-propan-2-ylphenyl)sulfanylbutoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[4-(4-isopropylphenyl)sulfanylbutoxy]-3-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-methoxy-4-[4-[(4-propan-2-ylphenyl)thio]butoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-methoxy-4-[4-(4-propan-2-ylphenyl)sulfanylbutoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-methoxy-4-[4-(p-cumenylthio)butoxy]phenyl]acrylic acid Formula: C23H28O4S MolecularWeight: 400.53102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SCCCCOC2=C(C=C(C=C2)C=CC(=O)O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SCCCCOC2=C(C=C(C=C2)/C=C/C(=O)O)OC

InChI

InChI=1S/C23H28O4S/c1-17(2)19-8-10-20(11-9-19)28-15-5-4-14-27-21-12-6-18(7-13-23(24)25)16-22(21)26-3/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,24,25)/b13-7+