O2-[(1S)-1,4-bis(oxidanyl)butyl] O1-tridecyl benzene-1,2-dicarboxylate

Systemtic Name: O2-[(1S)-1,4-bis(oxidanyl)butyl] O1-tridecyl benzene-1,2-dicarboxylate Openeye Name: O2-[(1S)-1,4-dihydroxybutyl] O1-tridecyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-[(1S)-1,4-dihydroxybutyl] ester O1-tridecyl ester IUPAC Name: 2-O-[(1S)-1,4-dihydroxybutyl] 1-O-tridecyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-[(1S)-1,4-dihydroxybutyl] ester O1-tridecyl ester Formula: C25H40O6 MolecularWeight: 436.5815

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OC(CCCO)O

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O[C@@H](CCCO)O

InChI

InChI=1S/C25H40O6/c1-2-3-4-5-6-7-8-9-10-11-14-20-30-24(28)21-16-12-13-17-22(21)25(29)31-23(27)18-15-19-26/h12-13,16-17,23,26-27H,2-11,14-15,18-20H2,1H3/t23-/m0/s1