butane-1,4-diol; hexane-1,6-diol; nonanedioic acid

Systemtic Name: butane-1,4-diol; hexane-1,6-diol; nonanedioic acid Openeye Name: butane-1,4-diol; hexane-1,6-diol; nonanedioic acid CAS Name: butane-1,4-diol; hexane-1,6-diol; nonanedioic acid IUPAC Name: butane-1,4-diol; hexane-1,6-diol; nonanedioic acid Traditional Name: azelaic acid; butane-1,4-diol; hexane-1,6-diol Formula: C19H40O8 MolecularWeight: 396.5161

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCC(=O)O)CCCC(=O)O.C(CCCO)CCO.C(CCO)CO

Isomeric SMILES

C(CCCC(=O)O)CCCC(=O)O.C(CCCO)CCO.C(CCO)CO

InChI

InChI=1S/C9H16O4.C6H14O2.C4H10O2/c10-8(11)6-4-2-1-3-5-7-9(12)13;7-5-3-1-2-4-6-8;5-3-1-2-4-6/h1-7H2,(H,10,11)(H,12,13);7-8H,1-6H2;5-6H,1-4H2