2-(17-carboxy-18-oxidanylidene-pentatriacontan-17-yl)oxy-3-oxidanyl-butanedioic acid

Systemtic Name: 2-(17-carboxy-18-oxidanylidene-pentatriacontan-17-yl)oxy-3-oxidanyl-butanedioic acid Openeye Name: 2-(1-carboxy-1-hexadecyl-2-oxo-nonadecoxy)-3-hydroxy-butanedioic acid CAS Name: 2-(17-carboxy-18-oxopentatriacontan-17-yl)oxy-3-hydroxybutanedioic acid IUPAC Name: 2-(17-carboxy-18-oxopentatriacontan-17-yl)oxy-3-hydroxybutanedioic acid Traditional Name: 2-(1-carboxy-1-cetyl-2-keto-nonadecoxy)-3-hydroxy-succinic acid Formula: C40H74O9 MolecularWeight: 699.01016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCC)(C(=O)O)OC(C(C(=O)O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCC)(C(=O)O)OC(C(C(=O)O)O)C(=O)O

InChI

InChI=1S/C40H74O9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(41)40(39(47)48,49-36(38(45)46)35(42)37(43)44)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h35-36,42H,3-33H2,1-2H3,(H,43,44)(H,45,46)(H,47,48)