(Z)-2-[3-methyl-2-[(4-methylphenyl)methylsulfanyl]phenyl]-3-oxidanyl-prop-2-enoic acid

Systemtic Name: (Z)-2-[3-methyl-2-[(4-methylphenyl)methylsulfanyl]phenyl]-3-oxidanyl-prop-2-enoic acid Openeye Name: (Z)-3-hydroxy-2-[3-methyl-2-(p-tolylmethylsulfanyl)phenyl]prop-2-enoic acid CAS Name: (Z)-3-hydroxy-2-[3-methyl-2-[(4-methylphenyl)methylthio]phenyl]-2-propenoic acid IUPAC Name: (Z)-3-hydroxy-2-[3-methyl-2-[(4-methylphenyl)methylsulfanyl]phenyl]prop-2-enoic acid Traditional Name: (Z)-3-hydroxy-2-[3-methyl-2-[(4-methylbenzyl)thio]phenyl]acrylic acid Formula: C18H18O3S MolecularWeight: 314.39872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=C(C=CC=C2C)C(=CO)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=C(C=CC=C2C)/C(=C/O)/C(=O)O

InChI

InChI=1S/C18H18O3S/c1-12-6-8-14(9-7-12)11-22-17-13(2)4-3-5-15(17)16(10-19)18(20)21/h3-10,19H,11H2,1-2H3,(H,20,21)/b16-10-