ethyl (4S,7E,9E,11R)-12-cyclopropyl-4,11-bis(oxidanyl)dodeca-7,9-dien-5-ynoate

Systemtic Name: ethyl (4S,7E,9E,11R)-12-cyclopropyl-4,11-bis(oxidanyl)dodeca-7,9-dien-5-ynoate Openeye Name: ethyl (4S,7E,9E,11R)-12-cyclopropyl-4,11-dihydroxy-dodeca-7,9-dien-5-ynoate CAS Name: (4S,7E,9E,11R)-12-cyclopropyl-4,11-dihydroxydodeca-7,9-dien-5-ynoic acid ethyl ester IUPAC Name: ethyl (4S,7E,9E,11R)-12-cyclopropyl-4,11-dihydroxydodeca-7,9-dien-5-ynoate Traditional Name: (4S,7E,9E,11R)-12-cyclopropyl-4,11-dihydroxy-dodeca-7,9-dien-5-ynoic acid ethyl ester Formula: C17H24O4 MolecularWeight: 292.37006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C#CC=CC=CC(CC1CC1)O)O

Isomeric SMILES

CCOC(=O)CC[C@@H](C#C/C=C/C=C/[C@@H](CC1CC1)O)O

InChI

InChI=1S/C17H24O4/c1-2-21-17(20)12-11-15(18)7-5-3-4-6-8-16(19)13-14-9-10-14/h3-4,6,8,14-16,18-19H,2,9-13H2,1H3/b4-3+,8-6+/t15-,16+/m1/s1