benzene-1,3-dicarboxylic acid; O1-butyl O2-(phenylmethyl) benzene-1,2-dicarboxylate

Systemtic Name: benzene-1,3-dicarboxylic acid; O1-butyl O2-(phenylmethyl) benzene-1,2-dicarboxylate Openeye Name: O2-benzyl O1-butyl benzene-1,2-dicarboxylate; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; benzene-1,2-dicarboxylic acid O1-butyl ester O2-(phenylmethyl) ester IUPAC Name: benzene-1,3-dicarboxylic acid; 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-benzyl ester O1-butyl ester; isophthalic acid Formula: C27H26O8 MolecularWeight: 478.49054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C19H20O4.C8H6O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15;9-7(10)5-2-1-3-6(4-5)8(11)12/h4-12H,2-3,13-14H2,1H3;1-4H,(H,9,10)(H,11,12)