methyl 4,4-bis(3-chloranyl-4-oxidanyl-phenyl)pentanoate

Systemtic Name: methyl 4,4-bis(3-chloranyl-4-oxidanyl-phenyl)pentanoate Openeye Name: methyl 4,4-bis(3-chloro-4-hydroxy-phenyl)pentanoate CAS Name: 4,4-bis(3-chloro-4-hydroxyphenyl)pentanoic acid methyl ester IUPAC Name: methyl 4,4-bis(3-chloro-4-hydroxyphenyl)pentanoate Traditional Name: 4,4-bis(3-chloro-4-hydroxy-phenyl)valeric acid methyl ester Formula: C18H18Cl2O4 MolecularWeight: 369.23912

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)(C1=CC(=C(C=C1)O)Cl)C2=CC(=C(C=C2)O)Cl

Isomeric SMILES

CC(CCC(=O)OC)(C1=CC(=C(C=C1)O)Cl)C2=CC(=C(C=C2)O)Cl

InChI

InChI=1S/C18H18Cl2O4/c1-18(8-7-17(23)24-2,11-3-5-15(21)13(19)9-11)12-4-6-16(22)14(20)10-12/h3-6,9-10,21-22H,7-8H2,1-2H3