[2-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[(9,10-dioxo-2-anthryl)amino]-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[(9,10-dioxo-2-anthracenyl)amino]-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[(9,10-dioxoanthracen-2-yl)amino]-1-phosphonoethyl]phosphonic acid Traditional Name: [2-[(9,10-diketo-2-anthryl)amino]-1-phosphono-ethyl]phosphonic acid Formula: C16H15NO8P2 MolecularWeight: 411.239722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C16H15NO8P2/c18-15-10-3-1-2-4-11(10)16(19)13-7-9(5-6-12(13)15)17-8-14(26(20,21)22)27(23,24)25/h1-7,14,17H,8H2,(H2,20,21,22)(H2,23,24,25)