benzene-1,3-dicarboxylic acid; hexane

Systemtic Name: benzene-1,3-dicarboxylic acid; hexane Openeye Name: hexane; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; hexane IUPAC Name: benzene-1,3-dicarboxylic acid; hexane Traditional Name: isophthalic acid; n-hexane Formula: C32H62O4 MolecularWeight: 510.83228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O4.4C6H14/c9-7(10)5-2-1-3-6(4-5)8(11)12;4*1-3-5-6-4-2/h1-4H,(H,9,10)(H,11,12);4*3-6H2,1-2H3