benzene-1,3-dicarboxylic acid; decanedioic acid; 5,6,7,8-tetrahydronaphthalene-1,4-dicarboxylate

Systemtic Name: benzene-1,3-dicarboxylic acid; decanedioic acid; 5,6,7,8-tetrahydronaphthalene-1,4-dicarboxylate Openeye Name: decanedioic acid; isophthalic acid; tetralin-5,8-dicarboxylate CAS Name: benzene-1,3-dicarboxylic acid; decanedioic acid; 5,6,7,8-tetrahydronaphthalene-1,4-dicarboxylate IUPAC Name: benzene-1,3-dicarboxylic acid; decanedioic acid; 5,6,7,8-tetrahydronaphthalene-1,4-dicarboxylate Traditional Name: isophthalic acid; sebacic acid; tetralin-5,8-dicarboxylate Formula: C30H34O12-2 MolecularWeight: 586.58376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C=CC(=C2C1)C(=O)[O-])C(=O)[O-].C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCCC(=O)O)CCCC(=O)O

Isomeric SMILES

C1CCC2=C(C=CC(=C2C1)C(=O)[O-])C(=O)[O-].C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCCC(=O)O)CCCC(=O)O

InChI

InChI=1S/C12H12O4.C10H18O4.C8H6O4/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9;11-9(12)7-5-3-1-2-4-6-8-10(13)14;9-7(10)5-2-1-3-6(4-5)8(11)12/h5-6H,1-4H2,(H,13,14)(H,15,16);1-8H2,(H,11,12)(H,13,14);1-4H,(H,9,10)(H,11,12)/p-2