methyl 2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]-3-sulfanyl-propanoate

Systemtic Name: methyl 2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]-3-sulfanyl-propanoate Openeye Name: methyl 2-hydroxy-3-[2-(8-phenyloctyl)phenyl]-3-sulfanyl-propanoate CAS Name: 2-hydroxy-3-mercapto-3-[2-(8-phenyloctyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-hydroxy-3-[2-(8-phenyloctyl)phenyl]-3-sulfanylpropanoate Traditional Name: 2-hydroxy-3-mercapto-3-[2-(8-phenyloctyl)phenyl]propionic acid methyl ester Formula: C24H32O3S MolecularWeight: 400.57408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)S)O

Isomeric SMILES

COC(=O)C(C(C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)S)O

InChI

InChI=1S/C24H32O3S/c1-27-24(26)22(25)23(28)21-18-12-11-17-20(21)16-10-5-3-2-4-7-13-19-14-8-6-9-15-19/h6,8-9,11-12,14-15,17-18,22-23,25,28H,2-5,7,10,13,16H2,1H3