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

Systemtic Name: [4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-2,6-dimethyl-phenyl] ethanoate Openeye Name: [4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2,6-dimethyl-phenyl] acetate CAS Name: acetic acid [4-(9-bromo-2,3-dimethyl-4-benzo[f][1]benzothiolyl)-2,6-dimethylphenyl] ester IUPAC Name: [4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2,6-dimethylphenyl] acetate Traditional Name: acetic acid [4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2,6-dimethyl-phenyl] ester Formula: C24H21BrO2S MolecularWeight: 453.39134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C)C)C2=C3C(=C(SC3=C(C4=CC=CC=C42)Br)C)C

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C)C)C2=C3C(=C(SC3=C(C4=CC=CC=C42)Br)C)C

InChI

InChI=1S/C24H21BrO2S/c1-12-10-17(11-13(2)23(12)27-16(5)26)21-18-8-6-7-9-19(18)22(25)24-20(21)14(3)15(4)28-24/h6-11H,1-5H3