3-[(4-phenoxyphenyl)sulfonylmethyl]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid

Systemtic Name: 3-[(4-phenoxyphenyl)sulfonylmethyl]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid Openeye Name: 3-[(4-phenoxyphenyl)sulfonylmethyl]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid CAS Name: 3-[(4-phenoxyphenyl)sulfonylmethyl]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid IUPAC Name: 3-[(4-phenoxyphenyl)sulfonylmethyl]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid Traditional Name: 3-[(4-phenoxyphenyl)sulfonylmethyl]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid Formula: C21H22O6S MolecularWeight: 402.46078

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC1O2)(CS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC2CC(CC1O2)(CS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H22O6S/c22-20(23)21(12-17-6-7-18(13-21)27-17)14-28(24,25)19-10-8-16(9-11-19)26-15-4-2-1-3-5-15/h1-5,8-11,17-18H,6-7,12-14H2,(H,22,23)