6-chloranyl-4-cyclohexyl-4-phenyl-1,3-benzodioxine-2-carboxylic acid

Systemtic Name: 6-chloranyl-4-cyclohexyl-4-phenyl-1,3-benzodioxine-2-carboxylic acid Openeye Name: 6-chloro-4-cyclohexyl-4-phenyl-1,3-benzodioxine-2-carboxylic acid CAS Name: 6-chloro-4-cyclohexyl-4-phenyl-1,3-benzodioxin-2-carboxylic acid IUPAC Name: 6-chloro-4-cyclohexyl-4-phenyl-1,3-benzodioxine-2-carboxylic acid Traditional Name: 6-chloro-4-cyclohexyl-4-phenyl-1,3-benzodioxin-2-carboxylic acid Formula: C21H21ClO4 MolecularWeight: 372.84204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2(C3=C(C=CC(=C3)Cl)OC(O2)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C2(C3=C(C=CC(=C3)Cl)OC(O2)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H21ClO4/c22-16-11-12-18-17(13-16)21(14-7-3-1-4-8-14,15-9-5-2-6-10-15)26-20(25-18)19(23)24/h1,3-4,7-8,11-13,15,20H,2,5-6,9-10H2,(H,23,24)