methyl 7-(4-bromophenyl)-9-oxidanyl-6H-benzo[c]thiochromene-10-carboxylate

Systemtic Name: methyl 7-(4-bromophenyl)-9-oxidanyl-6H-benzo[c]thiochromene-10-carboxylate Openeye Name: methyl 7-(4-bromophenyl)-9-hydroxy-6H-benzo[c]thiochromene-10-carboxylate CAS Name: 7-(4-bromophenyl)-9-hydroxy-6H-benzo[c]thiochromene-10-carboxylic acid methyl ester IUPAC Name: methyl 7-(4-bromophenyl)-9-hydroxy-6H-benzo[c]thiochromene-10-carboxylate Traditional Name: 7-(4-bromophenyl)-9-hydroxy-6H-benzo[c]thiochromene-10-carboxylic acid methyl ester Formula: C21H15BrO3S MolecularWeight: 427.311

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C2=C1C3=CC=CC=C3SC2)C4=CC=C(C=C4)Br)O

Isomeric SMILES

COC(=O)C1=C(C=C(C2=C1C3=CC=CC=C3SC2)C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C21H15BrO3S/c1-25-21(24)20-17(23)10-15(12-6-8-13(22)9-7-12)16-11-26-18-5-3-2-4-14(18)19(16)20/h2-10,23H,11H2,1H3