1,4,5,8-tetrakis[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione

Systemtic Name: 1,4,5,8-tetrakis[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,4,5,8-tetrakis[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione CAS Name: 1,4,5,8-tetrakis[(5-methyl-1,3-benzothiazol-2-yl)thio]anthracene-9,10-dione IUPAC Name: 1,4,5,8-tetrakis[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,4,5,8-tetrakis[(5-methyl-1,3-benzothiazol-2-yl)thio]-9,10-anthraquinone Formula: C46H28N4O2S8 MolecularWeight: 925.26012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)SC3=C4C(=C(C=C3)SC5=NC6=C(S5)C=CC(=C6)C)C(=O)C7=C(C=CC(=C7C4=O)SC8=NC9=C(S8)C=CC(=C9)C)SC1=NC2=C(S1)C=CC(=C2)C

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)SC3=C4C(=C(C=C3)SC5=NC6=C(S5)C=CC(=C6)C)C(=O)C7=C(C=CC(=C7C4=O)SC8=NC9=C(S8)C=CC(=C9)C)SC1=NC2=C(S1)C=CC(=C2)C

InChI

InChI=1S/C46H28N4O2S8/c1-21-5-9-29-25(17-21)47-43(53-29)57-33-13-14-34(58-44-48-26-18-22(2)6-10-30(26)54-44)38-37(33)41(51)39-35(59-45-49-27-19-23(3)7-11-31(27)55-45)15-16-36(40(39)42(38)52)60-46-50-28-20-24(4)8-12-32(28)56-46/h5-20H,1-4H3