2-[[2-methoxy-5-[(E)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[2-methoxy-5-[(E)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(E)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[5-[(E)-3-(3-hydroxy-4-methoxyphenyl)-1-oxoprop-2-enyl]-2-methoxyphenyl]methylthio]acetic acid IUPAC Name: 2-[[5-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]-2-methoxyphenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(E)-3-(3-hydroxy-4-methoxy-phenyl)acryloyl]-2-methoxy-benzyl]thio]acetic acid Formula: C20H20O6S MolecularWeight: 388.4342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)OC)O)CSCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)OC)O)CSCC(=O)O

InChI

InChI=1S/C20H20O6S/c1-25-18-8-5-14(10-15(18)11-27-12-20(23)24)16(21)6-3-13-4-7-19(26-2)17(22)9-13/h3-10,22H,11-12H2,1-2H3,(H,23,24)/b6-3+