13-dodecyl-14-oxidanyl-heptacosane-12,13,14-tricarboxylate

Systemtic Name: 13-dodecyl-14-oxidanyl-heptacosane-12,13,14-tricarboxylate Openeye Name: 13-dodecyl-14-hydroxy-heptacosane-12,13,14-tricarboxylate CAS Name: 13-dodecyl-14-hydroxyheptacosane-12,13,14-tricarboxylate IUPAC Name: 13-dodecyl-14-hydroxyheptacosane-12,13,14-tricarboxylate Traditional Name: 14-hydroxy-13-lauryl-heptacosane-12,13,14-tricarboxylate Formula: C42H77O7-3 MolecularWeight: 694.05658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)[O-])C(C(=O)[O-])(C(CCCCCCCCCCCC)(CCCCCCCCCCCC)C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)[O-])C(C(=O)[O-])(C(CCCCCCCCCCCC)(CCCCCCCCCCCC)C(=O)[O-])O

InChI

InChI=1S/C42H80O7/c1-4-7-10-13-16-19-22-25-28-31-34-37(38(43)44)42(49,40(47)48)41(39(45)46,35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h37,49H,4-36H2,1-3H3,(H,43,44)(H,45,46)(H,47,48)/p-3