bicyclo[1.1.0]butane; 4,6-dimethyl-5-(2-methylsulfonyl-4-oxidanyl-phenoxy)-1-propan-2-yl-indole-2-carboxylic acid

Systemtic Name: bicyclo[1.1.0]butane; 4,6-dimethyl-5-(2-methylsulfonyl-4-oxidanyl-phenoxy)-1-propan-2-yl-indole-2-carboxylic acid Openeye Name: bicyclo[1.1.0]butane; 5-(4-hydroxy-2-methylsulfonyl-phenoxy)-1-isopropyl-4,6-dimethyl-indole-2-carboxylic acid CAS Name: bicyclo[1.1.0]butane; 5-(4-hydroxy-2-methylsulfonylphenoxy)-4,6-dimethyl-1-propan-2-yl-2-indolecarboxylic acid IUPAC Name: bicyclo[1.1.0]butane; 5-(4-hydroxy-2-methylsulfonylphenoxy)-4,6-dimethyl-1-propan-2-ylindole-2-carboxylic acid Traditional Name: bicyclo[1.1.0]butane; 5-(4-hydroxy-2-mesyl-phenoxy)-1-isopropyl-4,6-dimethyl-indole-2-carboxylic acid Formula: C25H29NO6S MolecularWeight: 471.56586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C(N2C(C)C)C(=O)O)C(=C1OC3=C(C=C(C=C3)O)S(=O)(=O)C)C.C1C2C1C2

Isomeric SMILES

CC1=CC2=C(C=C(N2C(C)C)C(=O)O)C(=C1OC3=C(C=C(C=C3)O)S(=O)(=O)C)C.C1C2C1C2

InChI

InChI=1S/C21H23NO6S.C4H6/c1-11(2)22-16-8-12(3)20(13(4)15(16)10-17(22)21(24)25)28-18-7-6-14(23)9-19(18)29(5,26)27;1-3-2-4(1)3/h6-11,23H,1-5H3,(H,24,25);3-4H,1-2H2