hexane-1,6-diamine; hexanedioic acid; 4-[2-(4-oxidanylcyclohexyl)propan-2-yl]cyclohexan-1-ol; propane-1,1-diol

Systemtic Name: hexane-1,6-diamine; hexanedioic acid; 4-[2-(4-oxidanylcyclohexyl)propan-2-yl]cyclohexan-1-ol; propane-1,1-diol Openeye Name: adipic acid; hexane-1,6-diamine; 4-[1-(4-hydroxycyclohexyl)-1-methyl-ethyl]cyclohexanol; propane-1,1-diol CAS Name: hexane-1,6-diamine; hexanedioic acid; 4-[2-(4-hydroxycyclohexyl)propan-2-yl]-1-cyclohexanol; propane-1,1-diol IUPAC Name: hexane-1,6-diamine; hexanedioic acid; 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol; propane-1,1-diol Traditional Name: adipic acid; 6-aminohexylamine; 4-[1-(4-hydroxycyclohexyl)-1-methyl-ethyl]cyclohexanol; propane-1,1-diol Formula: C30H62N2O8 MolecularWeight: 578.82188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(O)O.CC(C)(C1CCC(CC1)O)C2CCC(CC2)O.C(CCCN)CCN.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CCC(O)O.CC(C)(C1CCC(CC1)O)C2CCC(CC2)O.C(CCCN)CCN.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C15H28O2.C6H16N2.C6H10O4.C3H8O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;7-5-3-1-2-4-6-8;7-5(8)3-1-2-4-6(9)10;1-2-3(4)5/h11-14,16-17H,3-10H2,1-2H3;1-8H2;1-4H2,(H,7,8)(H,9,10);3-5H,2H2,1H3