O1-hexadecyl O2-[(E)-octadec-9-enoyl] 3-hexylbenzene-1,2-dicarboxylate

Systemtic Name: O1-hexadecyl O2-[(E)-octadec-9-enoyl] 3-hexylbenzene-1,2-dicarboxylate Openeye Name: O1-hexadecyl O2-[(E)-octadec-9-enoyl] 3-hexylbenzene-1,2-dicarboxylate CAS Name: 3-hexylbenzene-1,2-dicarboxylic acid O1-hexadecyl ester O2-[(E)-1-oxooctadec-9-enyl] ester IUPAC Name: 1-O-hexadecyl 2-O-[(E)-octadec-9-enoyl] 3-hexylbenzene-1,2-dicarboxylate Traditional Name: 3-hexylbenzene-1,2-dicarboxylic acid O1-cetyl ester O2-[(E)-octadec-9-enoyl] ester Formula: C48H82O5 MolecularWeight: 739.16168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=C(C(=CC=C1)CCCCCC)C(=O)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=C(C(=CC=C1)CCCCCC)C(=O)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C48H82O5/c1-4-7-10-13-15-17-19-21-23-24-26-28-30-32-35-41-45(49)53-48(51)46-43(38-34-12-9-6-3)39-37-40-44(46)47(50)52-42-36-33-31-29-27-25-22-20-18-16-14-11-8-5-2/h21,23,37,39-40H,4-20,22,24-36,38,41-42H2,1-3H3/b23-21+