methyl 5-[2-[(E)-7-oxidanyldodec-3-en-5-ynyl]cyclopropyl]pentanoate

Systemtic Name: methyl 5-[2-[(E)-7-oxidanyldodec-3-en-5-ynyl]cyclopropyl]pentanoate Openeye Name: methyl 5-[2-[(E)-7-hydroxydodec-3-en-5-ynyl]cyclopropyl]pentanoate CAS Name: 5-[2-[(E)-7-hydroxydodec-3-en-5-ynyl]cyclopropyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[2-[(E)-7-hydroxydodec-3-en-5-ynyl]cyclopropyl]pentanoate Traditional Name: 5-[2-[(E)-7-hydroxydodec-3-en-5-ynyl]cyclopropyl]valeric acid methyl ester Formula: C21H34O3 MolecularWeight: 334.49286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C#CC=CCCC1CC1CCCCC(=O)OC)O

Isomeric SMILES

CCCCCC(C#C/C=C/CCC1CC1CCCCC(=O)OC)O

InChI

InChI=1S/C21H34O3/c1-3-4-7-14-20(22)15-9-6-5-8-12-18-17-19(18)13-10-11-16-21(23)24-2/h5-6,18-20,22H,3-4,7-8,10-14,16-17H2,1-2H3/b6-5+