N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanyl-phenyl]-9,10-bis(oxidanylidene)anthracene-2-sulfonamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanyl-phenyl]-9,10-bis(oxidanylidene)anthracene-2-sulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-phenyl]-9,10-dioxo-anthracene-2-sulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxyphenyl]-9,10-dioxo-2-anthracenesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]-9,10-dioxoanthracene-2-sulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-phenyl]-9,10-diketo-anthracene-2-sulfonamide Formula: C27H16N2O5S3 MolecularWeight: 544.62134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC(=C(C=C4)O)SC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC(=C(C=C4)O)SC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C27H16N2O5S3/c30-22-12-9-15(13-24(22)36-27-28-21-7-3-4-8-23(21)35-27)29-37(33,34)16-10-11-19-20(14-16)26(32)18-6-2-1-5-17(18)25(19)31/h1-14,29-30H