O1-hexadecyl O4-[(E)-octadec-9-enoyl] benzene-1,4-dicarboxylate

Systemtic Name: O1-hexadecyl O4-[(E)-octadec-9-enoyl] benzene-1,4-dicarboxylate Openeye Name: O1-hexadecyl O4-[(E)-octadec-9-enoyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-hexadecyl ester O4-[(E)-1-oxooctadec-9-enyl] ester IUPAC Name: 1-O-hexadecyl 4-O-[(E)-octadec-9-enoyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O1-cetyl ester O4-[(E)-octadec-9-enoyl] ester Formula: C42H70O5 MolecularWeight: 655.0022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-40(43)47-42(45)39-35-33-38(34-36-39)41(44)46-37-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,33-36H,3-16,18,20-32,37H2,1-2H3/b19-17+