hexane-1,6-diol; nonanedioic acid; phenylcarbonyl benzenecarboperoxoate; pyridine-3-carboxamide

Systemtic Name: hexane-1,6-diol; nonanedioic acid; phenylcarbonyl benzenecarboperoxoate; pyridine-3-carboxamide Openeye Name: benzoyl benzenecarboperoxoate; hexane-1,6-diol; nonanedioic acid; pyridine-3-carboxamide CAS Name: benzenecarboperoxoic acid benzoyl ester; hexane-1,6-diol; nonanedioic acid; 3-pyridinecarboxamide IUPAC Name: benzoyl benzenecarboperoxoate; hexane-1,6-diol; nonanedioic acid; pyridine-3-carboxamide Traditional Name: azelaic acid; benzenecarboperoxoic acid benzoyl ester; hexane-1,6-diol; nicotinamide Formula: C35H46N2O11 MolecularWeight: 670.74654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2.C1=CC(=CN=C1)C(=O)N.C(CCCC(=O)O)CCCC(=O)O.C(CCCO)CCO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2.C1=CC(=CN=C1)C(=O)N.C(CCCC(=O)O)CCCC(=O)O.C(CCCO)CCO

InChI

InChI=1S/C14H10O4.C9H16O4.C6H6N2O.C6H14O2/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12;10-8(11)6-4-2-1-3-5-7-9(12)13;7-6(9)5-2-1-3-8-4-5;7-5-3-1-2-4-6-8/h1-10H;1-7H2,(H,10,11)(H,12,13);1-4H,(H2,7,9);7-8H,1-6H2