methyl 3-[1,2-bis(4-hydroxyphenyl)ethylsulfanyl]propanoate

Systemtic Name: methyl 3-[1,2-bis(4-hydroxyphenyl)ethylsulfanyl]propanoate Openeye Name: methyl 3-[1,2-bis(4-hydroxyphenyl)ethylsulfanyl]propanoate CAS Name: 3-[1,2-bis(4-hydroxyphenyl)ethylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[1,2-bis(4-hydroxyphenyl)ethylsulfanyl]propanoate Traditional Name: 3-[1,2-bis(4-hydroxyphenyl)ethylthio]propionic acid methyl ester Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(CC1=CC=C(C=C1)O)C2=CC=C(C=C2)O

Isomeric SMILES

COC(=O)CCSC(CC1=CC=C(C=C1)O)C2=CC=C(C=C2)O

InChI

InChI=1S/C18H20O4S/c1-22-18(21)10-11-23-17(14-4-8-16(20)9-5-14)12-13-2-6-15(19)7-3-13/h2-9,17,19-20H,10-12H2,1H3