4-(8-oxidanylideneoxocan-2-yl)butyl 4-(3-hexan-3-ylsulfanyl-2-methyl-propanoyl)oxybenzoate

Systemtic Name: 4-(8-oxidanylideneoxocan-2-yl)butyl 4-(3-hexan-3-ylsulfanyl-2-methyl-propanoyl)oxybenzoate Openeye Name: 4-(8-oxooxocan-2-yl)butyl 4-[3-(1-ethylbutylsulfanyl)-2-methyl-propanoyl]oxybenzoate CAS Name: 4-[3-(hexan-3-ylthio)-2-methyl-1-oxopropoxy]benzoic acid 4-(8-oxo-2-oxocanyl)butyl ester IUPAC Name: 4-(8-oxooxocan-2-yl)butyl 4-(3-hexan-3-ylsulfanyl-2-methylpropanoyl)oxybenzoate Traditional Name: 4-[3-(1-ethylbutylthio)-2-methyl-propanoyl]oxybenzoic acid 4-(8-ketooxocan-2-yl)butyl ester Formula: C28H42O6S MolecularWeight: 506.69448

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)SCC(C)C(=O)OC1=CC=C(C=C1)C(=O)OCCCCC2CCCCCC(=O)O2

Isomeric SMILES

CCCC(CC)SCC(C)C(=O)OC1=CC=C(C=C1)C(=O)OCCCCC2CCCCCC(=O)O2

InChI

InChI=1S/C28H42O6S/c1-4-11-25(5-2)35-20-21(3)27(30)34-24-17-15-22(16-18-24)28(31)32-19-10-9-13-23-12-7-6-8-14-26(29)33-23/h15-18,21,23,25H,4-14,19-20H2,1-3H3