methyl 4-[(3Z)-3-cyclopropyl-5-oxidanyl-octa-3,7-dien-1-ynyl]benzoate

Systemtic Name: methyl 4-[(3Z)-3-cyclopropyl-5-oxidanyl-octa-3,7-dien-1-ynyl]benzoate Openeye Name: methyl 4-[(3Z)-3-cyclopropyl-5-hydroxy-octa-3,7-dien-1-ynyl]benzoate CAS Name: 4-[(3Z)-3-cyclopropyl-5-hydroxyocta-3,7-dien-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3Z)-3-cyclopropyl-5-hydroxyocta-3,7-dien-1-ynyl]benzoate Traditional Name: 4-[(3Z)-3-cyclopropyl-5-hydroxy-octa-3,7-dien-1-ynyl]benzoic acid methyl ester Formula: C19H20O3 MolecularWeight: 296.3603

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C#CC(=CC(CC=C)O)C2CC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C#C/C(=C\C(CC=C)O)/C2CC2

InChI

InChI=1S/C19H20O3/c1-3-4-18(20)13-17(15-11-12-15)10-7-14-5-8-16(9-6-14)19(21)22-2/h3,5-6,8-9,13,15,18,20H,1,4,11-12H2,2H3/b17-13+