1-azanyl-4-nitro-4-[2-(6-oxidanylhexoxy)phenyl]-9,10-bis(oxidanylidene)-1H-anthracene-2-carboxylate

Systemtic Name: 1-azanyl-4-nitro-4-[2-(6-oxidanylhexoxy)phenyl]-9,10-bis(oxidanylidene)-1H-anthracene-2-carboxylate Openeye Name: 1-amino-4-[2-(6-hydroxyhexoxy)phenyl]-4-nitro-9,10-dioxo-1H-anthracene-2-carboxylate CAS Name: 1-amino-4-[2-(6-hydroxyhexoxy)phenyl]-4-nitro-9,10-dioxo-1H-anthracene-2-carboxylate IUPAC Name: 1-amino-4-[2-(6-hydroxyhexoxy)phenyl]-4-nitro-9,10-dioxo-1H-anthracene-2-carboxylate Traditional Name: 1-amino-4-[2-(6-hydroxyhexoxy)phenyl]-9,10-diketo-4-nitro-1H-anthracene-2-carboxylate Formula: C27H25N2O8- MolecularWeight: 505.496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(C=C(C3N)C(=O)[O-])(C4=CC=CC=C4OCCCCCCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(C=C(C3N)C(=O)[O-])(C4=CC=CC=C4OCCCCCCO)[N+](=O)[O-]

InChI

InChI=1S/C27H26N2O8/c28-23-18(26(33)34)15-27(29(35)36,19-11-5-6-12-20(19)37-14-8-2-1-7-13-30)22-21(23)24(31)16-9-3-4-10-17(16)25(22)32/h3-6,9-12,15,23,30H,1-2,7-8,13-14,28H2,(H,33,34)/p-1