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

Systemtic Name: 2-[(2-carboxy-3-oxidanylidene-tetradecanoyl)amino]-7-dodecanoyl-octanedioic acid Openeye Name: 2-[(2-carboxy-3-oxo-tetradecanoyl)amino]-7-dodecanoyl-octanedioic acid CAS Name: 2-[(2-carboxy-1,3-dioxotetradecyl)amino]-7-(1-oxododecyl)octanedioic acid IUPAC Name: 2-[(2-carboxy-3-oxotetradecanoyl)amino]-7-dodecanoyloctanedioic acid Traditional Name: 2-[(2-carboxy-3-keto-tetradecanoyl)amino]-7-lauroyl-suberic acid Formula: C35H61NO9 MolecularWeight: 639.86014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H61NO9/c1-3-5-7-9-11-13-15-17-19-25-29(37)27(33(40)41)23-21-22-24-28(34(42)43)36-32(39)31(35(44)45)30(38)26-20-18-16-14-12-10-8-6-4-2/h27-28,31H,3-26H2,1-2H3,(H,36,39)(H,40,41)(H,42,43)(H,44,45)