methyl 6-naphthalen-2-yl-5-oxidanyl-6-phenylsulfanyl-hexanoate

Systemtic Name: methyl 6-naphthalen-2-yl-5-oxidanyl-6-phenylsulfanyl-hexanoate Openeye Name: methyl 5-hydroxy-6-(2-naphthyl)-6-phenylsulfanyl-hexanoate CAS Name: 5-hydroxy-6-(2-naphthalenyl)-6-(phenylthio)hexanoic acid methyl ester IUPAC Name: methyl 5-hydroxy-6-naphthalen-2-yl-6-phenylsulfanylhexanoate Traditional Name: 5-hydroxy-6-(2-naphthyl)-6-(phenylthio)hexanoic acid methyl ester Formula: C23H24O3S MolecularWeight: 380.49986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(C(C1=CC2=CC=CC=C2C=C1)SC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)CCCC(C(C1=CC2=CC=CC=C2C=C1)SC3=CC=CC=C3)O

InChI

InChI=1S/C23H24O3S/c1-26-22(25)13-7-12-21(24)23(27-20-10-3-2-4-11-20)19-15-14-17-8-5-6-9-18(17)16-19/h2-6,8-11,14-16,21,23-24H,7,12-13H2,1H3