2-azanyl-5,10-bis(oxidanyl)-4,9-di(undecyl)-[1]benzofuro[3,2-e][1,3]benzothiazole-7,8-dione

Systemtic Name: 2-azanyl-5,10-bis(oxidanyl)-4,9-di(undecyl)-[1]benzofuro[3,2-e][1,3]benzothiazole-7,8-dione Openeye Name: 2-amino-5,10-dihydroxy-4,9-di(undecyl)benzofuro[3,2-e][1,3]benzothiazole-7,8-dione CAS Name: 2-amino-5,10-dihydroxy-4,9-di(undecyl)benzofuro[3,2-e][1,3]benzothiazole-7,8-dione IUPAC Name: 2-amino-5,10-dihydroxy-4,9-di(undecyl)-[1]benzofuro[3,2-e][1,3]benzothiazole-7,8-dione Traditional Name: 2-amino-5,10-dihydroxy-4,9-di(undecyl)benzofuro[3,2-e][1,3]benzothiazole-7,8-quinone Formula: C35H50N2O5S MolecularWeight: 610.8469

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C(C2=C(C(=O)C1=O)OC3=C(C(=C4C(=C23)N=C(S4)N)CCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCC1=C(C2=C(C(=O)C1=O)OC3=C(C(=C4C(=C23)N=C(S4)N)CCCCCCCCCCC)O)O

InChI

InChI=1S/C35H50N2O5S/c1-3-5-7-9-11-13-15-17-19-21-23-28(38)26-25-27-34(43-35(36)37-27)24(22-20-18-16-14-12-10-8-6-4-2)30(40)32(25)42-33(26)31(41)29(23)39/h38,40H,3-22H2,1-2H3,(H2,36,37)