2-[(3-chloranyl-4-cycloheptyl-phenyl)methylidene]propanedioic acid

Systemtic Name: 2-[(3-chloranyl-4-cycloheptyl-phenyl)methylidene]propanedioic acid Openeye Name: 2-[(3-chloro-4-cycloheptyl-phenyl)methylene]propanedioic acid CAS Name: 2-[(3-chloro-4-cycloheptylphenyl)methylidene]propanedioic acid IUPAC Name: 2-[(3-chloro-4-cycloheptylphenyl)methylidene]propanedioic acid Traditional Name: 2-(3-chloro-4-cycloheptyl-benzylidene)malonic acid Formula: C17H19ClO4 MolecularWeight: 322.78336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C2=C(C=C(C=C2)C=C(C(=O)O)C(=O)O)Cl

Isomeric SMILES

C1CCCC(CC1)C2=C(C=C(C=C2)C=C(C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C17H19ClO4/c18-15-10-11(9-14(16(19)20)17(21)22)7-8-13(15)12-5-3-1-2-4-6-12/h7-10,12H,1-6H2,(H,19,20)(H,21,22)