2,3-bis(2-chloranyl-3-methyl-phenyl)terephthalate

Systemtic Name: 2,3-bis(2-chloranyl-3-methyl-phenyl)terephthalate Openeye Name: 2,3-bis(2-chloro-3-methyl-phenyl)terephthalate CAS Name: 2,3-bis(2-chloro-3-methylphenyl)terephthalate IUPAC Name: 2,3-bis(2-chloro-3-methylphenyl)terephthalate Traditional Name: 2,3-bis(2-chloro-3-methyl-phenyl)terephthalate Formula: C22H14Cl2O4-2 MolecularWeight: 413.25016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1Cl)C2=C(C=CC(=C2C3=C(C(=CC=C3)C)Cl)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1Cl)C2=C(C=CC(=C2C3=C(C(=CC=C3)C)Cl)C(=O)[O-])C(=O)[O-]

InChI

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