2-[(2-carboxy-3-oxidanylidene-pentadecanoyl)amino]-7-dodecanoyl-octanedioic acid

Systemtic Name: 2-[(2-carboxy-3-oxidanylidene-pentadecanoyl)amino]-7-dodecanoyl-octanedioic acid Openeye Name: 2-[(2-carboxy-3-oxo-pentadecanoyl)amino]-7-dodecanoyl-octanedioic acid CAS Name: 2-[(2-carboxy-1,3-dioxopentadecyl)amino]-7-(1-oxododecyl)octanedioic acid IUPAC Name: 2-[(2-carboxy-3-oxopentadecanoyl)amino]-7-dodecanoyloctanedioic acid Traditional Name: 2-[(2-carboxy-3-keto-pentadecanoyl)amino]-7-lauroyl-suberic acid Formula: C36H63NO9 MolecularWeight: 653.88672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)C(C(=O)NC(CCCCC(C(=O)CCCCCCCCCCC)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(=O)C(C(=O)NC(CCCCC(C(=O)CCCCCCCCCCC)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C36H63NO9/c1-3-5-7-9-11-13-15-17-19-21-27-31(39)32(36(45)46)33(40)37-29(35(43)44)25-23-22-24-28(34(41)42)30(38)26-20-18-16-14-12-10-8-6-4-2/h28-29,32H,3-27H2,1-2H3,(H,37,40)(H,41,42)(H,43,44)(H,45,46)