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

Systemtic Name: 2-[(2-carboxy-3-oxidanylidene-pentadecanoyl)amino]-7-tridecanoyl-octanedioic acid Openeye Name: 2-[(2-carboxy-3-oxo-pentadecanoyl)amino]-7-tridecanoyl-octanedioic acid CAS Name: 2-[(2-carboxy-1,3-dioxopentadecyl)amino]-7-(1-oxotridecyl)octanedioic acid IUPAC Name: 2-[(2-carboxy-3-oxopentadecanoyl)amino]-7-tridecanoyloctanedioic acid Traditional Name: 2-[(2-carboxy-3-keto-pentadecanoyl)amino]-7-tridecanoyl-suberic acid Formula: C37H65NO9 MolecularWeight: 667.9133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H65NO9/c1-3-5-7-9-11-13-15-17-19-21-27-31(39)29(35(42)43)25-23-24-26-30(36(44)45)38-34(41)33(37(46)47)32(40)28-22-20-18-16-14-12-10-8-6-4-2/h29-30,33H,3-28H2,1-2H3,(H,38,41)(H,42,43)(H,44,45)(H,46,47)