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

Systemtic Name: [4-(9-iodanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)phenyl] methanesulfonate Openeye Name: [4-(9-iodo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(9-iodo-2,3-dimethyl-4-benzo[f][1]benzothiolyl)phenyl] ester IUPAC Name: [4-(9-iodo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(9-iodo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)phenyl] ester Formula: C21H17IO3S2 MolecularWeight: 508.39235

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C(C3=CC=CC=C3C(=C12)C4=CC=C(C=C4)OS(=O)(=O)C)I)C

Isomeric SMILES

CC1=C(SC2=C(C3=CC=CC=C3C(=C12)C4=CC=C(C=C4)OS(=O)(=O)C)I)C

InChI

InChI=1S/C21H17IO3S2/c1-12-13(2)26-21-18(12)19(16-6-4-5-7-17(16)20(21)22)14-8-10-15(11-9-14)25-27(3,23)24/h4-11H,1-3H3