4-(3-aminophenyl)sulfanyl-2,6-bis(2-methylpropyl)-1,5-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 4-(3-aminophenyl)sulfanyl-2,6-bis(2-methylpropyl)-1,5-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 4-(3-aminophenyl)sulfanyl-1,5-dihydroxy-2,6-diisobutyl-anthracene-9,10-dione CAS Name: 4-[(3-aminophenyl)thio]-1,5-dihydroxy-2,6-bis(2-methylpropyl)anthracene-9,10-dione IUPAC Name: 4-(3-aminophenyl)sulfanyl-1,5-dihydroxy-2,6-bis(2-methylpropyl)anthracene-9,10-dione Traditional Name: 4-[(3-aminophenyl)thio]-1,5-dihydroxy-2,6-diisobutyl-9,10-anthraquinone Formula: C28H29NO4S MolecularWeight: 475.59916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C2=C(C=C1)C(=O)C3=C(C(=CC(=C3C2=O)SC4=CC=CC(=C4)N)CC(C)C)O)O

Isomeric SMILES

CC(C)CC1=C(C2=C(C=C1)C(=O)C3=C(C(=CC(=C3C2=O)SC4=CC=CC(=C4)N)CC(C)C)O)O

InChI

InChI=1S/C28H29NO4S/c1-14(2)10-16-8-9-20-22(25(16)30)28(33)23-21(34-19-7-5-6-18(29)13-19)12-17(11-15(3)4)26(31)24(23)27(20)32/h5-9,12-15,30-31H,10-11,29H2,1-4H3