hexanedioic acid; hexane-1,6-diol; [4-(hydroxymethyl)cyclohexyl]methanol

Systemtic Name: hexanedioic acid; hexane-1,6-diol; [4-(hydroxymethyl)cyclohexyl]methanol Openeye Name: adipic acid; hexane-1,6-diol; [4-(hydroxymethyl)cyclohexyl]methanol CAS Name: hexanedioic acid; hexane-1,6-diol; [4-(hydroxymethyl)cyclohexyl]methanol IUPAC Name: hexanedioic acid; hexane-1,6-diol; [4-(hydroxymethyl)cyclohexyl]methanol Traditional Name: adipic acid; hexane-1,6-diol; (4-methylolcyclohexyl)methanol Formula: C20H40O8 MolecularWeight: 408.5268

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CO)CO.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

C1CC(CCC1CO)CO.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C8H16O2.C6H10O4.C6H14O2/c9-5-7-1-2-8(6-10)4-3-7;7-5(8)3-1-2-4-6(9)10;7-5-3-1-2-4-6-8/h7-10H,1-6H2;1-4H2,(H,7,8)(H,9,10);7-8H,1-6H2