benzene-1,3-dicarboxylic acid; 2,3-diethyl-6-hexoxycarbonyl-benzoic acid

Systemtic Name: benzene-1,3-dicarboxylic acid; 2,3-diethyl-6-hexoxycarbonyl-benzoic acid Openeye Name: 2,3-diethyl-6-hexoxycarbonyl-benzoic acid; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; 2,3-diethyl-6-[hexoxy(oxo)methyl]benzoic acid IUPAC Name: benzene-1,3-dicarboxylic acid; 2,3-diethyl-6-hexoxycarbonylbenzoic acid Traditional Name: 2,3-diethyl-6-hexoxycarbonyl-benzoic acid; isophthalic acid Formula: C26H32O8 MolecularWeight: 472.52748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O4.C8H6O4/c1-4-7-8-9-12-22-18(21)15-11-10-13(5-2)14(6-3)16(15)17(19)20;9-7(10)5-2-1-3-6(4-5)8(11)12/h10-11H,4-9,12H2,1-3H3,(H,19,20);1-4H,(H,9,10)(H,11,12)