O1-ethyl O3-phenyl benzene-1,3-dicarboxylate; 3-(2-methylphenyl)phthalate

Systemtic Name: O1-ethyl O3-phenyl benzene-1,3-dicarboxylate; 3-(2-methylphenyl)phthalate Openeye Name: O1-ethyl O3-phenyl benzene-1,3-dicarboxylate; 3-(o-tolyl)phthalate CAS Name: benzene-1,3-dicarboxylic acid O1-ethyl ester O3-phenyl ester; 3-(2-methylphenyl)phthalate IUPAC Name: 1-O-ethyl 3-O-phenyl benzene-1,3-dicarboxylate; 3-(2-methylphenyl)phthalate Traditional Name: benzene-1,3-dicarboxylic acid O1-ethyl ester O3-phenyl ester; 3-(o-tolyl)phthalate Formula: C31H24O8-2 MolecularWeight: 524.51746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C(=O)OC2=CC=CC=C2.CC1=CC=CC=C1C2=C(C(=CC=C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C(=O)OC2=CC=CC=C2.CC1=CC=CC=C1C2=C(C(=CC=C2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H14O4.C15H12O4/c1-2-19-15(17)12-7-6-8-13(11-12)16(18)20-14-9-4-3-5-10-14;1-9-5-2-3-6-10(9)11-7-4-8-12(14(16)17)13(11)15(18)19/h3-11H,2H2,1H3;2-8H,1H3,(H,16,17)(H,18,19)/p-2