[7-methyl-4,4-bis(phenylsulfonyl)oct-6-en-1-ynyl]benzene

Systemtic Name: [7-methyl-4,4-bis(phenylsulfonyl)oct-6-en-1-ynyl]benzene Openeye Name: [4,4-bis(benzenesulfonyl)-7-methyl-oct-6-en-1-ynyl]benzene CAS Name: [4,4-bis(benzenesulfonyl)-7-methyloct-6-en-1-ynyl]benzene IUPAC Name: [4,4-bis(benzenesulfonyl)-7-methyloct-6-en-1-ynyl]benzene Traditional Name: (4,4-dibesyl-7-methyl-oct-6-en-1-ynyl)benzene Formula: C27H26O4S2 MolecularWeight: 478.62294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(CC#CC1=CC=CC=C1)(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC(=CCC(CC#CC1=CC=CC=C1)(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C27H26O4S2/c1-23(2)20-22-27(21-12-15-24-13-6-3-7-14-24,32(28,29)25-16-8-4-9-17-25)33(30,31)26-18-10-5-11-19-26/h3-11,13-14,16-20H,21-22H2,1-2H3