1,8-bis[(6-phenoxy-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione

Systemtic Name: 1,8-bis[(6-phenoxy-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(6-phenoxy-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(6-phenoxy-1,3-benzothiazol-2-yl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(6-phenoxy-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(6-phenoxy-1,3-benzothiazol-2-yl)thio]-9,10-anthraquinone Formula: C40H22N2O4S4 MolecularWeight: 722.87368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC3=C(C=C2)N=C(S3)SC4=CC=CC5=C4C(=O)C6=C(C5=O)C=CC=C6SC7=NC8=C(S7)C=C(C=C8)OC9=CC=CC=C9

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC3=C(C=C2)N=C(S3)SC4=CC=CC5=C4C(=O)C6=C(C5=O)C=CC=C6SC7=NC8=C(S7)C=C(C=C8)OC9=CC=CC=C9

InChI

InChI=1S/C40H22N2O4S4/c43-37-27-13-7-15-31(47-39-41-29-19-17-25(21-33(29)49-39)45-23-9-3-1-4-10-23)35(27)38(44)36-28(37)14-8-16-32(36)48-40-42-30-20-18-26(22-34(30)50-40)46-24-11-5-2-6-12-24/h1-22H