6-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxyhexyl methanesulfonate

Systemtic Name: 6-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxyhexyl methanesulfonate Openeye Name: 6-[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)oxy]hexyl methanesulfonate CAS Name: methanesulfonic acid 6-[(1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]hexyl ester IUPAC Name: 6-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxyhexyl methanesulfonate Traditional Name: methanesulfonic acid 6-[(1-amino-4-hydroxy-9,10-diketo-2-anthryl)oxy]hexyl ester Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCCCCOC1=C(C2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O)N

Isomeric SMILES

CS(=O)(=O)OCCCCCCOC1=C(C2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O)N

InChI

InChI=1S/C21H23NO7S/c1-30(26,27)29-11-7-3-2-6-10-28-16-12-15(23)17-18(19(16)22)21(25)14-9-5-4-8-13(14)20(17)24/h4-5,8-9,12,23H,2-3,6-7,10-11,22H2,1H3