4-azanyl-2,7-di(nonyl)-1,8-bis(oxidanyl)-5-phenylsulfanyl-anthracene-9,10-dione

Systemtic Name: 4-azanyl-2,7-di(nonyl)-1,8-bis(oxidanyl)-5-phenylsulfanyl-anthracene-9,10-dione Openeye Name: 4-amino-1,8-dihydroxy-2,7-di(nonyl)-5-phenylsulfanyl-anthracene-9,10-dione CAS Name: 4-amino-1,8-dihydroxy-2,7-di(nonyl)-5-(phenylthio)anthracene-9,10-dione IUPAC Name: 4-amino-1,8-dihydroxy-2,7-di(nonyl)-5-phenylsulfanylanthracene-9,10-dione Traditional Name: 4-amino-1,8-dihydroxy-2,7-di(nonyl)-5-(phenylthio)-9,10-anthraquinone Formula: C38H49NO4S MolecularWeight: 615.86496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C2C(=C1O)C(=O)C3=C(C(=CC(=C3C2=O)SC4=CC=CC=C4)CCCCCCCCC)O)N

Isomeric SMILES

CCCCCCCCCC1=CC(=C2C(=C1O)C(=O)C3=C(C(=CC(=C3C2=O)SC4=CC=CC=C4)CCCCCCCCC)O)N

InChI

InChI=1S/C38H49NO4S/c1-3-5-7-9-11-13-16-20-26-24-29(39)31-33(35(26)40)38(43)34-32(37(31)42)30(44-28-22-18-15-19-23-28)25-27(36(34)41)21-17-14-12-10-8-6-4-2/h15,18-19,22-25,40-41H,3-14,16-17,20-21,39H2,1-2H3