4-azanyl-1,8-bis(oxidanyl)-5-phenylsulfanyl-2,7-bis(3,5,5-trimethylhexyl)anthracene-9,10-dione

Systemtic Name: 4-azanyl-1,8-bis(oxidanyl)-5-phenylsulfanyl-2,7-bis(3,5,5-trimethylhexyl)anthracene-9,10-dione Openeye Name: 4-amino-1,8-dihydroxy-5-phenylsulfanyl-2,7-bis(3,5,5-trimethylhexyl)anthracene-9,10-dione CAS Name: 4-amino-1,8-dihydroxy-5-(phenylthio)-2,7-bis(3,5,5-trimethylhexyl)anthracene-9,10-dione IUPAC Name: 4-amino-1,8-dihydroxy-5-phenylsulfanyl-2,7-bis(3,5,5-trimethylhexyl)anthracene-9,10-dione Traditional Name: 4-amino-1,8-dihydroxy-5-(phenylthio)-2,7-bis(3,5,5-trimethylhexyl)-9,10-anthraquinone Formula: C38H49NO4S MolecularWeight: 615.86496

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC(=C2C(=C1O)C(=O)C3=C(C(=CC(=C3C2=O)SC4=CC=CC=C4)CCC(C)CC(C)(C)C)O)N)CC(C)(C)C

Isomeric SMILES

CC(CCC1=CC(=C2C(=C1O)C(=O)C3=C(C(=CC(=C3C2=O)SC4=CC=CC=C4)CCC(C)CC(C)(C)C)O)N)CC(C)(C)C

InChI

InChI=1S/C38H49NO4S/c1-22(20-37(3,4)5)14-16-24-18-27(39)29-31(33(24)40)36(43)32-30(35(29)42)28(44-26-12-10-9-11-13-26)19-25(34(32)41)17-15-23(2)21-38(6,7)8/h9-13,18-19,22-23,40-41H,14-17,20-21,39H2,1-8H3