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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H66O3.C18H36O2/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/h17-20H,3-16,21-34H2,1-2H3;2-17H2,1H3,(H,19,20)/p-1/b19-17+,20-18+;