dimethyl benzene-1,4-dicarboxylate; dodecanedioic acid

Systemtic Name: dimethyl benzene-1,4-dicarboxylate; dodecanedioic acid Openeye Name: dimethyl benzene-1,4-dicarboxylate; dodecanedioic acid CAS Name: benzene-1,4-dicarboxylic acid dimethyl ester; dodecanedioic acid IUPAC Name: dimethyl benzene-1,4-dicarboxylate; dodecanedioic acid Traditional Name: benzene-1,4-dicarboxylic acid dimethyl ester; dodecanedioic acid Formula: C22H32O8 MolecularWeight: 424.48468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22O4.C10H10O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h1-10H2,(H,13,14)(H,15,16);3-6H,1-2H3