decanedioic acid; dimethyl benzene-1,4-dicarboxylate

Systemtic Name: decanedioic acid; dimethyl benzene-1,4-dicarboxylate Openeye Name: decanedioic acid; dimethyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid dimethyl ester; decanedioic acid IUPAC Name: decanedioic acid; dimethyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid dimethyl ester; sebacic acid Formula: C20H28O8 MolecularWeight: 396.43152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10O4.C10H18O4/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/h3-6H,1-2H3;1-8H2,(H,11,12)(H,13,14)