O2-hexadecyl O1-pentyl benzene-1,2-dicarboxylate

Systemtic Name: O2-hexadecyl O1-pentyl benzene-1,2-dicarboxylate Openeye Name: O2-hexadecyl O1-pentyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-hexadecyl ester O1-pentyl ester IUPAC Name: 2-O-hexadecyl 1-O-pentyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-amyl ester O2-cetyl ester Formula: C29H48O4 MolecularWeight: 460.68902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC

InChI

InChI=1S/C29H48O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-25-33-29(31)27-23-19-18-22-26(27)28(30)32-24-20-6-4-2/h18-19,22-23H,3-17,20-21,24-25H2,1-2H3