[9,10-bis(oxidanylidene)-1-phosphonooxy-anthracen-2-yl] octanoate

Systemtic Name: [9,10-bis(oxidanylidene)-1-phosphonooxy-anthracen-2-yl] octanoate Openeye Name: (9,10-dioxo-1-phosphonooxy-2-anthryl) octanoate CAS Name: octanoic acid (9,10-dioxo-1-phosphonooxy-2-anthracenyl) ester IUPAC Name: (9,10-dioxo-1-phosphonooxyanthracen-2-yl) octanoate Traditional Name: caprylic acid (9,10-diketo-1-phosphonooxy-2-anthryl) ester Formula: C22H23O8P MolecularWeight: 446.386981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)OP(=O)(O)O

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)OP(=O)(O)O

InChI

InChI=1S/C22H23O8P/c1-2-3-4-5-6-11-18(23)29-17-13-12-16-19(22(17)30-31(26,27)28)21(25)15-10-8-7-9-14(15)20(16)24/h7-10,12-13H,2-6,11H2,1H3,(H2,26,27,28)