benzo[f][1]benzothiol-4-yl 3-methylbenzenesulfonate

Systemtic Name: benzo[f][1]benzothiol-4-yl 3-methylbenzenesulfonate Openeye Name: benzo[f]benzothiophen-4-yl 3-methylbenzenesulfonate CAS Name: 3-methylbenzenesulfonic acid 4-benzo[f][1]benzothiolyl ester IUPAC Name: benzo[f][1]benzothiol-4-yl 3-methylbenzenesulfonate Traditional Name: 3-methylbenzenesulfonic acid benzo[f]benzothiophen-4-yl ester Formula: C19H14O3S2 MolecularWeight: 354.44266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)OC2=C3C=CSC3=CC4=CC=CC=C42

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)OC2=C3C=CSC3=CC4=CC=CC=C42

InChI

InChI=1S/C19H14O3S2/c1-13-5-4-7-15(11-13)24(20,21)22-19-16-8-3-2-6-14(16)12-18-17(19)9-10-23-18/h2-12H,1H3