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

Systemtic Name: bicyclo[1.1.0]butane; 4,6-dimethyl-5-(2-methylsulfonyl-4-oxidanyl-phenoxy)-1H-indole-2-carboxylic acid Openeye Name: bicyclo[1.1.0]butane; 5-(4-hydroxy-2-methylsulfonyl-phenoxy)-4,6-dimethyl-1H-indole-2-carboxylic acid CAS Name: bicyclo[1.1.0]butane; 5-(4-hydroxy-2-methylsulfonylphenoxy)-4,6-dimethyl-1H-indole-2-carboxylic acid IUPAC Name: bicyclo[1.1.0]butane; 5-(4-hydroxy-2-methylsulfonylphenoxy)-4,6-dimethyl-1H-indole-2-carboxylic acid Traditional Name: bicyclo[1.1.0]butane; 5-(4-hydroxy-2-mesyl-phenoxy)-4,6-dimethyl-1H-indole-2-carboxylic acid Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C(N2)C(=O)O)C(=C1OC3=C(C=C(C=C3)O)S(=O)(=O)C)C.C1C2C1C2

Isomeric SMILES

CC1=CC2=C(C=C(N2)C(=O)O)C(=C1OC3=C(C=C(C=C3)O)S(=O)(=O)C)C.C1C2C1C2

InChI

InChI=1S/C18H17NO6S.C4H6/c1-9-6-13-12(8-14(19-13)18(21)22)10(2)17(9)25-15-5-4-11(20)7-16(15)26(3,23)24;1-3-2-4(1)3/h4-8,19-20H,1-3H3,(H,21,22);3-4H,1-2H2