4-[7-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-6-yl]benzenethiol

Systemtic Name: 4-[7-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-6-yl]benzenethiol Openeye Name: 4-[7-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-6-yl]benzenethiol CAS Name: 4-[7-(4-methylsulfonylphenyl)-6-spiro[3.4]octa-5,7-dienyl]benzenethiol IUPAC Name: 4-[7-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-6-yl]benzenethiol Traditional Name: 4-[7-(4-mesylphenyl)spiro[3.4]octa-5,7-dien-6-yl]benzenethiol Formula: C21H20O2S2 MolecularWeight: 368.5123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3(CCC3)C=C2C4=CC=C(C=C4)S

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3(CCC3)C=C2C4=CC=C(C=C4)S

InChI

InChI=1S/C21H20O2S2/c1-25(22,23)18-9-5-16(6-10-18)20-14-21(11-2-12-21)13-19(20)15-3-7-17(24)8-4-15/h3-10,13-14,24H,2,11-12H2,1H3