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

Systemtic Name: 1,4,5,8-tetrakis[(5-propan-2-yloxy-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,4,5,8-tetrakis[(5-isopropoxy-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione CAS Name: 1,4,5,8-tetrakis[(5-propan-2-yloxy-1,3-benzothiazol-2-yl)thio]anthracene-9,10-dione IUPAC Name: 1,4,5,8-tetrakis[(5-propan-2-yloxy-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,4,5,8-tetrakis[(5-isopropoxy-1,3-benzothiazol-2-yl)thio]-9,10-anthraquinone Formula: C54H44N4O6S8 MolecularWeight: 1101.47036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC2=C(C=C1)SC(=N2)SC3=C4C(=C(C=C3)SC5=NC6=C(S5)C=CC(=C6)OC(C)C)C(=O)C7=C(C=CC(=C7C4=O)SC8=NC9=C(S8)C=CC(=C9)OC(C)C)SC1=NC2=C(S1)C=CC(=C2)OC(C)C

Isomeric SMILES

CC(C)OC1=CC2=C(C=C1)SC(=N2)SC3=C4C(=C(C=C3)SC5=NC6=C(S5)C=CC(=C6)OC(C)C)C(=O)C7=C(C=CC(=C7C4=O)SC8=NC9=C(S8)C=CC(=C9)OC(C)C)SC1=NC2=C(S1)C=CC(=C2)OC(C)C

InChI

InChI=1S/C54H44N4O6S8/c1-25(2)61-29-9-13-37-33(21-29)55-51(65-37)69-41-17-18-42(70-52-56-34-22-30(62-26(3)4)10-14-38(34)66-52)46-45(41)49(59)47-43(71-53-57-35-23-31(63-27(5)6)11-15-39(35)67-53)19-20-44(48(47)50(46)60)72-54-58-36-24-32(64-28(7)8)12-16-40(36)68-54/h9-28H,1-8H3