(3-methylidene-1-benzoxepin-7-yl)methyl (9Z,12Z)-octadeca-9,12-dienoate

Systemtic Name: (3-methylidene-1-benzoxepin-7-yl)methyl (9Z,12Z)-octadeca-9,12-dienoate Openeye Name: (3-methylene-1-benzoxepin-7-yl)methyl (9Z,12Z)-octadeca-9,12-dienoate CAS Name: (9Z,12Z)-octadeca-9,12-dienoic acid (3-methylene-1-benzoxepin-7-yl)methyl ester IUPAC Name: (3-methylidene-1-benzoxepin-7-yl)methyl (9Z,12Z)-octadeca-9,12-dienoate Traditional Name: (9Z,12Z)-octadeca-9,12-dienoic acid (3-methylene-1-benzoxepin-7-yl)methyl ester Formula: C30H42O3 MolecularWeight: 450.65268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OCC1=CC2=C(C=C1)OCC(=C)C=C2

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC1=CC2=C(C=C1)OCC(=C)C=C2

InChI

InChI=1S/C30H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30(31)33-25-27-20-22-29-28(23-27)21-19-26(2)24-32-29/h7-8,10-11,19-23H,2-6,9,12-18,24-25H2,1H3/b8-7-,11-10-