decanedioic acid; dimethyl benzene-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol

Systemtic Name: decanedioic acid; dimethyl benzene-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol Openeye Name: decanedioic acid; dimethyl benzene-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; ethylene glycol CAS Name: benzene-1,4-dicarboxylic acid dimethyl ester; decanedioic acid; 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol IUPAC Name: decanedioic acid; dimethyl benzene-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol Traditional Name: benzene-1,4-dicarboxylic acid dimethyl ester; 2,2-dimethylpropane-1,3-diol; ethylene glycol; sebacic acid Formula: C27H46O12 MolecularWeight: 562.64694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)CO.COC(=O)C1=CC=C(C=C1)C(=O)OC.C(CCCCC(=O)O)CCCC(=O)O.C(CO)O

Isomeric SMILES

CC(C)(CO)CO.COC(=O)C1=CC=C(C=C1)C(=O)OC.C(CCCCC(=O)O)CCCC(=O)O.C(CO)O

InChI

InChI=1S/C10H10O4.C10H18O4.C5H12O2.C2H6O2/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2;11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-5(2,3-6)4-7;3-1-2-4/h3-6H,1-2H3;1-8H2,(H,11,12)(H,13,14);6-7H,3-4H2,1-2H3;3-4H,1-2H2