methyl (E)-9-methyl-7-oxidanyl-13-phenylsulfanyl-8-propanoyl-tridec-10-enoate

Systemtic Name: methyl (E)-9-methyl-7-oxidanyl-13-phenylsulfanyl-8-propanoyl-tridec-10-enoate Openeye Name: methyl (E)-7-hydroxy-9-methyl-13-phenylsulfanyl-8-propanoyl-tridec-10-enoate CAS Name: (E)-7-hydroxy-9-methyl-8-(1-oxopropyl)-13-(phenylthio)-10-tridecenoic acid methyl ester IUPAC Name: methyl (E)-7-hydroxy-9-methyl-13-phenylsulfanyl-8-propanoyltridec-10-enoate Traditional Name: (E)-7-hydroxy-9-methyl-13-(phenylthio)-8-propionyl-tridec-10-enoic acid methyl ester Formula: C24H36O4S MolecularWeight: 420.60524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(C)C=CCCSC1=CC=CC=C1)C(CCCCCC(=O)OC)O

Isomeric SMILES

CCC(=O)C(C(C)/C=C/CCSC1=CC=CC=C1)C(CCCCCC(=O)OC)O

InChI

InChI=1S/C24H36O4S/c1-4-21(25)24(22(26)16-9-6-10-17-23(27)28-3)19(2)13-11-12-18-29-20-14-7-5-8-15-20/h5,7-8,11,13-15,19,22,24,26H,4,6,9-10,12,16-18H2,1-3H3/b13-11+