5-(4-cyclohexylphenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid

Systemtic Name: 5-(4-cyclohexylphenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-(4-cyclohexylphenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-(4-cyclohexylphenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-(4-cyclohexylphenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-(4-cyclohexylphenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Formula: C21H22O6S MolecularWeight: 402.46078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)C3=CC=C(C=C3)C4CCCCC4)OC(O2)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)C3=CC=C(C=C3)C4CCCCC4)OC(O2)C(=O)O

InChI

InChI=1S/C21H22O6S/c1-13-11-17-18(27-21(26-17)20(22)23)12-19(13)28(24,25)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-12,14,21H,2-6H2,1H3,(H,22,23)