dodecyl 2-benzo[b][1]benzoxepin-3-ylethanoate

Systemtic Name: dodecyl 2-benzo[b][1]benzoxepin-3-ylethanoate Openeye Name: dodecyl 2-benzo[b][1]benzoxepin-3-ylacetate CAS Name: 2-(3-benzo[b][1]benzoxepinyl)acetic acid dodecyl ester IUPAC Name: dodecyl 2-benzo[b][1]benzoxepin-3-ylacetate Traditional Name: 2-benzo[b][1]benzoxepin-3-ylacetic acid lauryl ester Formula: C28H36O3 MolecularWeight: 420.58364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1=CC2=C(C=C1)OC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1=CC2=C(C=C1)OC3=CC=CC=C3C=C2

InChI

InChI=1S/C28H36O3/c1-2-3-4-5-6-7-8-9-10-13-20-30-28(29)22-23-16-19-27-25(21-23)18-17-24-14-11-12-15-26(24)31-27/h11-12,14-19,21H,2-10,13,20,22H2,1H3