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

Systemtic Name: 4-nitro-2,6-di(nonyl)-1,5-bis(oxidanyl)-8-phenylsulfanyl-anthracene-9,10-dione Openeye Name: 1,5-dihydroxy-4-nitro-2,6-di(nonyl)-8-phenylsulfanyl-anthracene-9,10-dione CAS Name: 1,5-dihydroxy-4-nitro-2,6-di(nonyl)-8-(phenylthio)anthracene-9,10-dione IUPAC Name: 1,5-dihydroxy-4-nitro-2,6-di(nonyl)-8-phenylsulfanylanthracene-9,10-dione Traditional Name: 1,5-dihydroxy-4-nitro-2,6-di(nonyl)-8-(phenylthio)-9,10-anthraquinone Formula: C38H47NO6S MolecularWeight: 645.84788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C2C(=C1O)C(=O)C3=C(C=C(C(=C3C2=O)O)CCCCCCCCC)SC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCC1=CC(=C2C(=C1O)C(=O)C3=C(C=C(C(=C3C2=O)O)CCCCCCCCC)SC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C38H47NO6S/c1-3-5-7-9-11-13-16-20-26-24-29(39(44)45)31-33(35(26)40)38(43)32-30(46-28-22-18-15-19-23-28)25-27(36(41)34(32)37(31)42)21-17-14-12-10-8-6-4-2/h15,18-19,22-25,40-41H,3-14,16-17,20-21H2,1-2H3