methyl 7-chloranyl-4-methyl-4-oxidanyl-hept-2-ynoate

Systemtic Name: methyl 7-chloranyl-4-methyl-4-oxidanyl-hept-2-ynoate Openeye Name: methyl 7-chloro-4-hydroxy-4-methyl-hept-2-ynoate CAS Name: 7-chloro-4-hydroxy-4-methyl-2-heptynoic acid methyl ester IUPAC Name: methyl 7-chloro-4-hydroxy-4-methylhept-2-ynoate Traditional Name: 7-chloro-4-hydroxy-4-methyl-hept-2-ynoic acid methyl ester Formula: C9H13ClO3 MolecularWeight: 204.65072

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCl)(C#CC(=O)OC)O

Isomeric SMILES

CC(CCCCl)(C#CC(=O)OC)O

InChI

InChI=1S/C9H13ClO3/c1-9(12,5-3-7-10)6-4-8(11)13-2/h12H,3,5,7H2,1-2H3