decanedioic acid; 2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate

Systemtic Name: decanedioic acid; 2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate Openeye Name: decanedioic acid; 2-diethylaminoethyl 1-cyclohexylcyclohexanecarboxylate CAS Name: 1-cyclohexyl-1-cyclohexanecarboxylic acid 2-diethylaminoethyl ester; decanedioic acid IUPAC Name: decanedioic acid; 2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate Traditional Name: 1-cyclohexylcyclohexanecarboxylic acid 2-diethylaminoethyl ester; sebacic acid Formula: C29H53NO6 MolecularWeight: 511.73422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2.C(CCCCC(=O)O)CCCC(=O)O

Isomeric SMILES

CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2.C(CCCCC(=O)O)CCCC(=O)O

InChI

InChI=1S/C19H35NO2.C10H18O4/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17;11-9(12)7-5-3-1-2-4-6-8-10(13)14/h17H,3-16H2,1-2H3;1-8H2,(H,11,12)(H,13,14)