[4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2,6-dimethyl-phenyl] methanesulfonate

Systemtic Name: [4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2,6-dimethyl-phenyl] methanesulfonate Openeye Name: [4-(2,3-dimethylbenzo[f]benzothiophen-4-yl)-2,6-dimethyl-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(2,3-dimethyl-4-benzo[f][1]benzothiolyl)-2,6-dimethylphenyl] ester IUPAC Name: [4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2,6-dimethylphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(2,3-dimethylbenzo[f]benzothiophen-4-yl)-2,6-dimethyl-phenyl] ester Formula: C23H22O3S2 MolecularWeight: 410.54898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OS(=O)(=O)C)C)C2=C3C(=C(SC3=CC4=CC=CC=C42)C)C

Isomeric SMILES

CC1=CC(=CC(=C1OS(=O)(=O)C)C)C2=C3C(=C(SC3=CC4=CC=CC=C42)C)C

InChI

InChI=1S/C23H22O3S2/c1-13-10-18(11-14(2)23(13)26-28(5,24)25)22-19-9-7-6-8-17(19)12-20-21(22)15(3)16(4)27-20/h6-12H,1-5H3