1-azanyl-4-oxidanyl-2-[(4-pentylcyclohexyl)methylsulfanyl]anthracene-9,10-dione

Systemtic Name: 1-azanyl-4-oxidanyl-2-[(4-pentylcyclohexyl)methylsulfanyl]anthracene-9,10-dione Openeye Name: 1-amino-4-hydroxy-2-[(4-pentylcyclohexyl)methylsulfanyl]anthracene-9,10-dione CAS Name: 1-amino-4-hydroxy-2-[(4-pentylcyclohexyl)methylthio]anthracene-9,10-dione IUPAC Name: 1-amino-4-hydroxy-2-[(4-pentylcyclohexyl)methylsulfanyl]anthracene-9,10-dione Traditional Name: 1-amino-2-[(4-amylcyclohexyl)methylthio]-4-hydroxy-9,10-anthraquinone Formula: C26H31NO3S MolecularWeight: 437.59424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)CSC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

Isomeric SMILES

CCCCCC1CCC(CC1)CSC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

InChI

InChI=1S/C26H31NO3S/c1-2-3-4-7-16-10-12-17(13-11-16)15-31-21-14-20(28)22-23(24(21)27)26(30)19-9-6-5-8-18(19)25(22)29/h5-6,8-9,14,16-17,28H,2-4,7,10-13,15,27H2,1H3