methyl 8-oxidanyl-9-(4-pentylphenoxy)non-5-ynoate

Systemtic Name: methyl 8-oxidanyl-9-(4-pentylphenoxy)non-5-ynoate Openeye Name: methyl 8-hydroxy-9-(4-pentylphenoxy)non-5-ynoate CAS Name: 8-hydroxy-9-(4-pentylphenoxy)-5-nonynoic acid methyl ester IUPAC Name: methyl 8-hydroxy-9-(4-pentylphenoxy)non-5-ynoate Traditional Name: 9-(4-amylphenoxy)-8-hydroxy-non-5-ynoic acid methyl ester Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OCC(CC#CCCCC(=O)OC)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OCC(CC#CCCCC(=O)OC)O

InChI

InChI=1S/C21H30O4/c1-3-4-7-10-18-13-15-20(16-14-18)25-17-19(22)11-8-5-6-9-12-21(23)24-2/h13-16,19,22H,3-4,6-7,9-12,17H2,1-2H3