[4-(9-iodanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-2,6-dimethyl-phenyl] methanesulfonate

Systemtic Name: [4-(9-iodanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-2,6-dimethyl-phenyl] methanesulfonate Openeye Name: [4-(9-iodo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2,6-dimethyl-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(9-iodo-2,3-dimethyl-4-benzo[f][1]benzothiolyl)-2,6-dimethylphenyl] ester IUPAC Name: [4-(9-iodo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2,6-dimethylphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(9-iodo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2,6-dimethyl-phenyl] ester Formula: C23H21IO3S2 MolecularWeight: 536.44551

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OS(=O)(=O)C)C)C2=C3C(=C(SC3=C(C4=CC=CC=C42)I)C)C

Isomeric SMILES

CC1=CC(=CC(=C1OS(=O)(=O)C)C)C2=C3C(=C(SC3=C(C4=CC=CC=C42)I)C)C

InChI

InChI=1S/C23H21IO3S2/c1-12-10-16(11-13(2)22(12)27-29(5,25)26)20-17-8-6-7-9-18(17)21(24)23-19(20)14(3)15(4)28-23/h6-11H,1-5H3