methyl (E)-7-[3-[(4-chlorophenyl)methylsulfanyl]-5-[(E)-5-methyl-3-oxidanyl-non-1-enyl]-2-oxidanylidene-cyclopent-3-en-1-yl]-7-oxidanyl-hept-2-enoate

Systemtic Name: methyl (E)-7-[3-[(4-chlorophenyl)methylsulfanyl]-5-[(E)-5-methyl-3-oxidanyl-non-1-enyl]-2-oxidanylidene-cyclopent-3-en-1-yl]-7-oxidanyl-hept-2-enoate Openeye Name: methyl (E)-7-[3-[(4-chlorophenyl)methylsulfanyl]-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]-2-oxo-cyclopent-3-en-1-yl]-7-hydroxy-hept-2-enoate CAS Name: (E)-7-[3-[(4-chlorophenyl)methylthio]-5-[(E)-3-hydroxy-5-methylnon-1-enyl]-2-oxo-1-cyclopent-3-enyl]-7-hydroxy-2-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[3-[(4-chlorophenyl)methylsulfanyl]-5-[(E)-3-hydroxy-5-methylnon-1-enyl]-2-oxocyclopent-3-en-1-yl]-7-hydroxyhept-2-enoate Traditional Name: (E)-7-[3-[(4-chlorobenzyl)thio]-5-[(E)-3-hydroxy-5-methyl-non-1-enyl]-2-keto-cyclopent-3-en-1-yl]-7-hydroxy-hept-2-enoic acid methyl ester Formula: C30H41ClO5S MolecularWeight: 549.16154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CC(C=CC1C=C(C(=O)C1C(CCCC=CC(=O)OC)O)SCC2=CC=C(C=C2)Cl)O

Isomeric SMILES

CCCCC(C)CC(/C=C/C1C=C(C(=O)C1C(CCC/C=C/C(=O)OC)O)SCC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C30H41ClO5S/c1-4-5-9-21(2)18-25(32)17-14-23-19-27(37-20-22-12-15-24(31)16-13-22)30(35)29(23)26(33)10-7-6-8-11-28(34)36-3/h8,11-17,19,21,23,25-26,29,32-33H,4-7,9-10,18,20H2,1-3H3/b11-8+,17-14+