6-oxidanylhexyl 1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: 6-oxidanylhexyl 1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: 6-hydroxyhexyl 1-amino-4-hydroxy-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-amino-4-hydroxy-9,10-dioxo-2-anthracenecarboxylic acid 6-hydroxyhexyl ester IUPAC Name: 6-hydroxyhexyl 1-amino-4-hydroxy-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-amino-4-hydroxy-9,10-diketo-anthracene-2-carboxylic acid 6-hydroxyhexyl ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)N)C(=O)OCCCCCCO)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)N)C(=O)OCCCCCCO)O

InChI

InChI=1S/C21H21NO6/c22-18-14(21(27)28-10-6-2-1-5-9-23)11-15(24)16-17(18)20(26)13-8-4-3-7-12(13)19(16)25/h3-4,7-8,11,23-24H,1-2,5-6,9-10,22H2