1,5-bis[(5-butoxy-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione

Systemtic Name: 1,5-bis[(5-butoxy-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,5-bis[(5-butoxy-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione CAS Name: 1,5-bis[(5-butoxy-1,3-benzothiazol-2-yl)thio]anthracene-9,10-dione IUPAC Name: 1,5-bis[(5-butoxy-1,3-benzothiazol-2-yl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,5-bis[(5-butoxy-1,3-benzothiazol-2-yl)thio]-9,10-anthraquinone Formula: C36H30N2O4S4 MolecularWeight: 682.8944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)SC(=N2)SC3=CC=CC4=C3C(=O)C5=C(C4=O)C(=CC=C5)SC6=NC7=C(S6)C=CC(=C7)OCCCC

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)SC(=N2)SC3=CC=CC4=C3C(=O)C5=C(C4=O)C(=CC=C5)SC6=NC7=C(S6)C=CC(=C7)OCCCC

InChI

InChI=1S/C36H30N2O4S4/c1-3-5-17-41-21-13-15-27-25(19-21)37-35(43-27)45-29-11-7-9-23-31(29)33(39)24-10-8-12-30(32(24)34(23)40)46-36-38-26-20-22(42-18-6-4-2)14-16-28(26)44-36/h7-16,19-20H,3-6,17-18H2,1-2H3