benzene-1,3-dicarboxylic acid; carbonic acid; cyclohexane

Systemtic Name: benzene-1,3-dicarboxylic acid; carbonic acid; cyclohexane Openeye Name: carbonic acid; cyclohexane; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; carbonic acid; cyclohexane IUPAC Name: benzene-1,3-dicarboxylic acid; carbonic acid; cyclohexane Traditional Name: carbonic acid; cyclohexane; isophthalic acid Formula: C16H22O10 MolecularWeight: 374.33988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCC1.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(=O)(O)O.C(=O)(O)O

Isomeric SMILES

C1CCCCC1.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(=O)(O)O.C(=O)(O)O

InChI

InChI=1S/C8H6O4.C6H12.2CH2O3/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-2-4-6-5-3-1;2*2-1(3)4/h1-4H,(H,9,10)(H,11,12);1-6H2;2*(H2,2,3,4)