(E)-6-[(4-ethoxycarbonylphenyl)methyl]hexadec-7-enoic acid

Systemtic Name: (E)-6-[(4-ethoxycarbonylphenyl)methyl]hexadec-7-enoic acid Openeye Name: (E)-6-[(4-ethoxycarbonylphenyl)methyl]hexadec-7-enoic acid CAS Name: (E)-6-[(4-ethoxycarbonylphenyl)methyl]-7-hexadecenoic acid IUPAC Name: (E)-6-[(4-ethoxycarbonylphenyl)methyl]hexadec-7-enoic acid Traditional Name: (E)-6-(4-carbethoxybenzyl)hexadec-7-enoic acid Formula: C26H40O4 MolecularWeight: 416.5934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CC(CCCCC(=O)O)CC1=CC=C(C=C1)C(=O)OCC

Isomeric SMILES

CCCCCCCC/C=C/C(CCCCC(=O)O)CC1=CC=C(C=C1)C(=O)OCC

InChI

InChI=1S/C26H40O4/c1-3-5-6-7-8-9-10-11-14-22(15-12-13-16-25(27)28)21-23-17-19-24(20-18-23)26(29)30-4-2/h11,14,17-20,22H,3-10,12-13,15-16,21H2,1-2H3,(H,27,28)/b14-11+