6-[2-butanoyloxy-4-oxidanyl-5-[(E)-3-oxidanyl-7-phenyl-hept-1-enyl]cyclopenten-1-yl]sulfanylhexanoate

Systemtic Name: 6-[2-butanoyloxy-4-oxidanyl-5-[(E)-3-oxidanyl-7-phenyl-hept-1-enyl]cyclopenten-1-yl]sulfanylhexanoate Openeye Name: 6-[2-butanoyloxy-4-hydroxy-5-[(E)-3-hydroxy-7-phenyl-hept-1-enyl]cyclopenten-1-yl]sulfanylhexanoate CAS Name: 6-[[4-hydroxy-5-[(E)-3-hydroxy-7-phenylhept-1-enyl]-2-(1-oxobutoxy)-1-cyclopentenyl]thio]hexanoate IUPAC Name: 6-[2-butanoyloxy-4-hydroxy-5-[(E)-3-hydroxy-7-phenylhept-1-enyl]cyclopenten-1-yl]sulfanylhexanoate Traditional Name: 6-[[2-butyryloxy-4-hydroxy-5-[(E)-3-hydroxy-7-phenyl-hept-1-enyl]cyclopenten-1-yl]thio]hexanoate Formula: C28H39O6S- MolecularWeight: 503.67066

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C(C(C1)O)C=CC(CCCCC2=CC=CC=C2)O)SCCCCCC(=O)[O-]

Isomeric SMILES

CCCC(=O)OC1=C(C(C(C1)O)/C=C/C(CCCCC2=CC=CC=C2)O)SCCCCCC(=O)[O-]

InChI

InChI=1S/C28H40O6S/c1-2-11-27(33)34-25-20-24(30)23(28(25)35-19-10-4-7-16-26(31)32)18-17-22(29)15-9-8-14-21-12-5-3-6-13-21/h3,5-6,12-13,17-18,22-24,29-30H,2,4,7-11,14-16,19-20H2,1H3,(H,31,32)/p-1/b18-17+