2,4-bis(2-chloranyl-3-methyl-phenyl)benzene-1,3-dicarboxylate

Systemtic Name: 2,4-bis(2-chloranyl-3-methyl-phenyl)benzene-1,3-dicarboxylate Openeye Name: 2,4-bis(2-chloro-3-methyl-phenyl)benzene-1,3-dicarboxylate CAS Name: 2,4-bis(2-chloro-3-methylphenyl)benzene-1,3-dicarboxylate IUPAC Name: 2,4-bis(2-chloro-3-methylphenyl)benzene-1,3-dicarboxylate Traditional Name: 2,4-bis(2-chloro-3-methyl-phenyl)isophthalate Formula: C22H14Cl2O4-2 MolecularWeight: 413.25016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1Cl)C2=C(C(=C(C=C2)C(=O)[O-])C3=C(C(=CC=C3)C)Cl)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1Cl)C2=C(C(=C(C=C2)C(=O)[O-])C3=C(C(=CC=C3)C)Cl)C(=O)[O-]

InChI

InChI=1S/C22H16Cl2O4/c1-11-5-3-7-14(19(11)23)13-9-10-16(21(25)26)17(18(13)22(27)28)15-8-4-6-12(2)20(15)24/h3-10H,1-2H3,(H,25,26)(H,27,28)/p-2