1-(butylamino)-5-(2-tert-butylphenyl)sulfanyl-anthracene-9,10-dione

Systemtic Name: 1-(butylamino)-5-(2-tert-butylphenyl)sulfanyl-anthracene-9,10-dione Openeye Name: 1-(butylamino)-5-(2-tert-butylphenyl)sulfanyl-anthracene-9,10-dione CAS Name: 1-(butylamino)-5-[(2-tert-butylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1-(butylamino)-5-(2-tert-butylphenyl)sulfanylanthracene-9,10-dione Traditional Name: 1-(butylamino)-5-[(2-tert-butylphenyl)thio]-9,10-anthraquinone Formula: C28H29NO2S MolecularWeight: 443.60036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)SC4=CC=CC=C4C(C)(C)C

Isomeric SMILES

CCCCNC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)SC4=CC=CC=C4C(C)(C)C

InChI

InChI=1S/C28H29NO2S/c1-5-6-17-29-21-14-9-11-18-24(21)26(30)19-12-10-16-23(25(19)27(18)31)32-22-15-8-7-13-20(22)28(2,3)4/h7-16,29H,5-6,17H2,1-4H3