methyl 4-(6-naphthalen-1-ylhexylsulfanyl)-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-(6-naphthalen-1-ylhexylsulfanyl)-3-oxidanylidene-butanoate Openeye Name: methyl 4-[6-(1-naphthyl)hexylsulfanyl]-3-oxo-butanoate CAS Name: 4-[6-(1-naphthalenyl)hexylthio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(6-naphthalen-1-ylhexylsulfanyl)-3-oxobutanoate Traditional Name: 3-keto-4-[6-(1-naphthyl)hexylthio]butyric acid methyl ester Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CSCCCCCCC1=CC=CC2=CC=CC=C21

Isomeric SMILES

COC(=O)CC(=O)CSCCCCCCC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C21H26O3S/c1-24-21(23)15-19(22)16-25-14-7-3-2-4-9-17-11-8-12-18-10-5-6-13-20(17)18/h5-6,8,10-13H,2-4,7,9,14-16H2,1H3