methyl 2-[(E)-heptadec-10-enyl]-6-oxidanyl-benzoate

Systemtic Name: methyl 2-[(E)-heptadec-10-enyl]-6-oxidanyl-benzoate Openeye Name: methyl 2-[(E)-heptadec-10-enyl]-6-hydroxy-benzoate CAS Name: 2-[(E)-heptadec-10-enyl]-6-hydroxybenzoic acid methyl ester IUPAC Name: methyl 2-[(E)-heptadec-10-enyl]-6-hydroxybenzoate Traditional Name: 2-[(E)-heptadec-10-enyl]-6-hydroxy-benzoic acid methyl ester Formula: C25H40O3 MolecularWeight: 388.5833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)OC

Isomeric SMILES

CCCCCC/C=C/CCCCCCCCCC1=C(C(=CC=C1)O)C(=O)OC

InChI

InChI=1S/C25H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23(26)24(22)25(27)28-2/h8-9,18,20-21,26H,3-7,10-17,19H2,1-2H3/b9-8+