5-[2-(5-chloranyl-2-phenylmethoxy-phenyl)cyclopenta-1,3-dien-1-yl]-2-methyl-benzoic acid

Systemtic Name: 5-[2-(5-chloranyl-2-phenylmethoxy-phenyl)cyclopenta-1,3-dien-1-yl]-2-methyl-benzoic acid Openeye Name: 5-[2-(2-benzyloxy-5-chloro-phenyl)cyclopenta-1,3-dien-1-yl]-2-methyl-benzoic acid CAS Name: 5-[2-(5-chloro-2-phenylmethoxyphenyl)-1-cyclopenta-1,3-dienyl]-2-methylbenzoic acid IUPAC Name: 5-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenta-1,3-dien-1-yl]-2-methylbenzoic acid Traditional Name: 5-[2-(2-benzoxy-5-chloro-phenyl)cyclopenta-1,3-dien-1-yl]-2-methyl-benzoic acid Formula: C26H21ClO3 MolecularWeight: 416.89614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=CC2)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=CC2)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H21ClO3/c1-17-10-11-19(14-23(17)26(28)29)21-8-5-9-22(21)24-15-20(27)12-13-25(24)30-16-18-6-3-2-4-7-18/h2-7,9-15H,8,16H2,1H3,(H,28,29)