bis(2-cyanoethyl) [(4-methoxyphenyl)sulfanyl-(10-methylacridin-9-ylidene)methyl] phosphate

Systemtic Name: bis(2-cyanoethyl) [(4-methoxyphenyl)sulfanyl-(10-methylacridin-9-ylidene)methyl] phosphate Openeye Name: bis(2-cyanoethyl) [(4-methoxyphenyl)sulfanyl-(10-methylacridin-9-ylidene)methyl] phosphate CAS Name: phosphoric acid bis(2-cyanoethyl) [[(4-methoxyphenyl)thio]-(10-methyl-9-acridinylidene)methyl] ester IUPAC Name: bis(2-cyanoethyl) [(4-methoxyphenyl)sulfanyl-(10-methylacridin-9-ylidene)methyl] phosphate Traditional Name: phosphoric acid bis(2-cyanoethyl) [[(4-methoxyphenyl)thio]-(10-methylacridin-9-ylidene)methyl] ester Formula: C28H26N3O5PS MolecularWeight: 547.561901

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C(OP(=O)(OCCC#N)OCCC#N)SC3=CC=C(C=C3)OC)C4=CC=CC=C41

Isomeric SMILES

CN1C2=CC=CC=C2C(=C(OP(=O)(OCCC#N)OCCC#N)SC3=CC=C(C=C3)OC)C4=CC=CC=C41

InChI

InChI=1S/C28H26N3O5PS/c1-31-25-11-5-3-9-23(25)27(24-10-4-6-12-26(24)31)28(38-22-15-13-21(33-2)14-16-22)36-37(32,34-19-7-17-29)35-20-8-18-30/h3-6,9-16H,7-8,19-20H2,1-2H3