2-[4-(10-methoxy-1-oxidanyl-decyl)-3-oxidanyl-5-oxidanylidene-3-(phenylmethyl)cyclopenten-1-yl]sulfanylethyl ethanoate

Systemtic Name: 2-[4-(10-methoxy-1-oxidanyl-decyl)-3-oxidanyl-5-oxidanylidene-3-(phenylmethyl)cyclopenten-1-yl]sulfanylethyl ethanoate Openeye Name: 2-[3-benzyl-3-hydroxy-4-(1-hydroxy-10-methoxy-decyl)-5-oxo-cyclopenten-1-yl]sulfanylethyl acetate CAS Name: acetic acid 2-[[3-hydroxy-4-(1-hydroxy-10-methoxydecyl)-5-oxo-3-(phenylmethyl)-1-cyclopentenyl]thio]ethyl ester IUPAC Name: 2-[3-benzyl-3-hydroxy-4-(1-hydroxy-10-methoxydecyl)-5-oxocyclopenten-1-yl]sulfanylethyl acetate Traditional Name: acetic acid 2-[[3-benzyl-3-hydroxy-4-(1-hydroxy-10-methoxy-decyl)-5-keto-cyclopenten-1-yl]thio]ethyl ester Formula: C27H40O6S MolecularWeight: 492.6679

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=CC(C(C1=O)C(CCCCCCCCCOC)O)(CC2=CC=CC=C2)O

Isomeric SMILES

CC(=O)OCCSC1=CC(C(C1=O)C(CCCCCCCCCOC)O)(CC2=CC=CC=C2)O

InChI

InChI=1S/C27H40O6S/c1-21(28)33-17-18-34-24-20-27(31,19-22-13-9-8-10-14-22)25(26(24)30)23(29)15-11-6-4-3-5-7-12-16-32-2/h8-10,13-14,20,23,25,29,31H,3-7,11-12,15-19H2,1-2H3