1,5-bis(1,3-benzothiazol-2-ylsulfanyl)-4,8-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 1,5-bis(1,3-benzothiazol-2-ylsulfanyl)-4,8-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 1,5-bis(1,3-benzothiazol-2-ylsulfanyl)-4,8-dihydroxy-anthracene-9,10-dione CAS Name: 1,5-bis(1,3-benzothiazol-2-ylthio)-4,8-dihydroxyanthracene-9,10-dione IUPAC Name: 1,5-bis(1,3-benzothiazol-2-ylsulfanyl)-4,8-dihydroxyanthracene-9,10-dione Traditional Name: 1,5-bis(1,3-benzothiazol-2-ylthio)-4,8-dihydroxy-9,10-anthraquinone Formula: C28H14N2O4S4 MolecularWeight: 570.68176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C4C(=C(C=C3)O)C(=O)C5=C(C=CC(=C5C4=O)O)SC6=NC7=CC=CC=C7S6

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C4C(=C(C=C3)O)C(=O)C5=C(C=CC(=C5C4=O)O)SC6=NC7=CC=CC=C7S6

InChI

InChI=1S/C28H14N2O4S4/c31-15-9-11-19(37-27-29-13-5-1-3-7-17(13)35-27)23-21(15)26(34)24-20(12-10-16(32)22(24)25(23)33)38-28-30-14-6-2-4-8-18(14)36-28/h1-12,31-32H