1-nitro-2,6-di(nonyl)-1,5-bis(oxidanyl)-8-phenylsulfanyl-2H-anthracene-9,10-dione

Systemtic Name: 1-nitro-2,6-di(nonyl)-1,5-bis(oxidanyl)-8-phenylsulfanyl-2H-anthracene-9,10-dione Openeye Name: 1,5-dihydroxy-1-nitro-2,6-di(nonyl)-8-phenylsulfanyl-2H-anthracene-9,10-dione CAS Name: 1,5-dihydroxy-1-nitro-2,6-di(nonyl)-8-(phenylthio)-2H-anthracene-9,10-dione IUPAC Name: 1,5-dihydroxy-1-nitro-2,6-di(nonyl)-8-phenylsulfanyl-2H-anthracene-9,10-dione Traditional Name: 1,5-dihydroxy-1-nitro-2,6-di(nonyl)-8-(phenylthio)-2H-anthracene-9,10-quinone Formula: C38H49NO6S MolecularWeight: 647.86376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1C=CC2=C(C1([N+](=O)[O-])O)C(=O)C3=C(C=C(C(=C3C2=O)O)CCCCCCCCC)SC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCC1C=CC2=C(C1([N+](=O)[O-])O)C(=O)C3=C(C=C(C(=C3C2=O)O)CCCCCCCCC)SC4=CC=CC=C4

InChI

InChI=1S/C38H49NO6S/c1-3-5-7-9-11-13-16-20-27-26-31(46-29-22-18-15-19-23-29)32-33(35(27)40)36(41)30-25-24-28(21-17-14-12-10-8-6-4-2)38(43,39(44)45)34(30)37(32)42/h15,18-19,22-26,28,40,43H,3-14,16-17,20-21H2,1-2H3