(E)-octadec-9-enoate; [(E)-octadec-9-enoyl] octadecanoate

Systemtic Name: (E)-octadec-9-enoate; [(E)-octadec-9-enoyl] octadecanoate Openeye Name: (E)-octadec-9-enoate; [(E)-octadec-9-enoyl] octadecanoate CAS Name: octadecanoic acid [(E)-1-oxooctadec-9-enyl] ester; (E)-9-octadecenoate IUPAC Name: (E)-octadec-9-enoate; [(E)-octadec-9-enoyl] octadecanoate Traditional Name: (E)-octadec-9-enoate; stearic acid [(E)-octadec-9-enoyl] ester Formula: C54H101O5- MolecularWeight: 830.37674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCC=CCCCCCCCC.CCCCCCCCC=CCCCCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCC/C=C/CCCCCCCC.CCCCCCCC/C=C/CCCCCCCC(=O)[O-]

InChI

InChI=1S/C36H68O3.C18H34O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h17,19H,3-16,18,20-34H2,1-2H3;9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b19-17+;10-9+