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benzene-1,3-dicarboxylic acid; butane-1,4-diol; hexanedioic acid

benzene-1,3-dicarboxylic acid; butane-1,4-diol; hexanedioic acid

Systemtic Name:benzene-1,3-dicarboxylic acid; butane-1,4-diol; hexanedioic acid
Openeye Name:adipic acid; butane-1,4-diol; isophthalic acid
CAS Name:benzene-1,3-dicarboxylic acid; butane-1,4-diol; hexanedioic acid
IUPAC Name:benzene-1,3-dicarboxylic acid; butane-1,4-diol; hexanedioic acid
Traditional Name:adipic acid; butane-1,4-diol; isophthalic acid
Formula: C18H26O10
MolecularWeight: 402.39304
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCC(=O)O)CC(=O)O.C(CCO)CO


Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCC(=O)O)CC(=O)O.C(CCO)CO


InChI

InChI=1S/C8H6O4.C6H10O4.C4H10O2/c9-7(10)5-2-1-3-6(4-5)8(11)12;7-5(8)3-1-2-4-6(9)10;5-3-1-2-4-6/h1-4H,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2


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