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

Systemtic Name: [4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)phenyl] methanesulfonate Openeye Name: [4-(2,3-dimethylbenzo[f]benzothiophen-4-yl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(2,3-dimethyl-4-benzo[f][1]benzothiolyl)phenyl] ester IUPAC Name: [4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(2,3-dimethylbenzo[f]benzothiophen-4-yl)phenyl] ester Formula: C21H18O3S2 MolecularWeight: 382.49582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC3=CC=CC=C3C(=C12)C4=CC=C(C=C4)OS(=O)(=O)C)C

Isomeric SMILES

CC1=C(SC2=CC3=CC=CC=C3C(=C12)C4=CC=C(C=C4)OS(=O)(=O)C)C

InChI

InChI=1S/C21H18O3S2/c1-13-14(2)25-19-12-16-6-4-5-7-18(16)21(20(13)19)15-8-10-17(11-9-15)24-26(3,22)23/h4-12H,1-3H3