13-dodecyl-14-oxidanyl-heptacosane-12,13,14-tricarboxylic acid

Systemtic Name: 13-dodecyl-14-oxidanyl-heptacosane-12,13,14-tricarboxylic acid Openeye Name: 13-dodecyl-14-hydroxy-heptacosane-12,13,14-tricarboxylic acid CAS Name: 13-dodecyl-14-hydroxyheptacosane-12,13,14-tricarboxylic acid IUPAC Name: 13-dodecyl-14-hydroxyheptacosane-12,13,14-tricarboxylic acid Traditional Name: 14-hydroxy-13-lauryl-heptacosane-12,13,14-tricarboxylic acid Formula: C42H80O7 MolecularWeight: 697.0804

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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)