6-chloranyl-2-(hydroxymethyl)-5-[(4-methylphenyl)amino]-1-benzothiophene-4,7-dione

Systemtic Name: 6-chloranyl-2-(hydroxymethyl)-5-[(4-methylphenyl)amino]-1-benzothiophene-4,7-dione Openeye Name: 6-chloro-2-(hydroxymethyl)-5-(4-methylanilino)benzothiophene-4,7-dione CAS Name: 6-chloro-2-(hydroxymethyl)-5-(4-methylanilino)-1-benzothiophene-4,7-dione IUPAC Name: 6-chloro-2-(hydroxymethyl)-5-(4-methylanilino)-1-benzothiophene-4,7-dione Traditional Name: 6-chloro-2-methylol-5-(p-toluidino)benzothiophene-4,7-quinone Formula: C16H12ClNO3S MolecularWeight: 333.78938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=O)C3=C(C2=O)C=C(S3)CO)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=O)C3=C(C2=O)C=C(S3)CO)Cl

InChI

InChI=1S/C16H12ClNO3S/c1-8-2-4-9(5-3-8)18-13-12(17)15(21)16-11(14(13)20)6-10(7-19)22-16/h2-6,18-19H,7H2,1H3