1-azanyl-2-[[1-(hydroxymethyl)cyclohex-3-en-1-yl]methoxy]-4-oxidanyl-anthracene-9,10-dione

Systemtic Name: 1-azanyl-2-[[1-(hydroxymethyl)cyclohex-3-en-1-yl]methoxy]-4-oxidanyl-anthracene-9,10-dione Openeye Name: 1-amino-4-hydroxy-2-[[1-(hydroxymethyl)cyclohex-3-en-1-yl]methoxy]anthracene-9,10-dione CAS Name: 1-amino-4-hydroxy-2-[[1-(hydroxymethyl)-1-cyclohex-3-enyl]methoxy]anthracene-9,10-dione IUPAC Name: 1-amino-4-hydroxy-2-[[1-(hydroxymethyl)cyclohex-3-en-1-yl]methoxy]anthracene-9,10-dione Traditional Name: 1-amino-4-hydroxy-2-[(1-methylolcyclohex-3-en-1-yl)methoxy]-9,10-anthraquinone Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)(CO)COC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

Isomeric SMILES

C1CC(CC=C1)(CO)COC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

InChI

InChI=1S/C22H21NO5/c23-19-16(28-12-22(11-24)8-4-1-5-9-22)10-15(25)17-18(19)21(27)14-7-3-2-6-13(14)20(17)26/h1-4,6-7,10,24-25H,5,8-9,11-12,23H2