ethyl 9-chloranyl-8-oxidanyl-3-oxidanylidene-heptadec-6-ynoate

Systemtic Name: ethyl 9-chloranyl-8-oxidanyl-3-oxidanylidene-heptadec-6-ynoate Openeye Name: ethyl 9-chloro-8-hydroxy-3-oxo-heptadec-6-ynoate CAS Name: 9-chloro-8-hydroxy-3-oxo-6-heptadecynoic acid ethyl ester IUPAC Name: ethyl 9-chloro-8-hydroxy-3-oxoheptadec-6-ynoate Traditional Name: 9-chloro-8-hydroxy-3-keto-heptadec-6-ynoic acid ethyl ester Formula: C19H31ClO4 MolecularWeight: 358.90004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(C#CCCC(=O)CC(=O)OCC)O)Cl

Isomeric SMILES

CCCCCCCCC(C(C#CCCC(=O)CC(=O)OCC)O)Cl

InChI

InChI=1S/C19H31ClO4/c1-3-5-6-7-8-9-13-17(20)18(22)14-11-10-12-16(21)15-19(23)24-4-2/h17-18,22H,3-10,12-13,15H2,1-2H3