3-[[10-(phenylmethyl)acridin-9-ylidene]-(phenylmethylsulfanyl)methyl]sulfanylpropyl dihydrogen phosphate

Systemtic Name: 3-[[10-(phenylmethyl)acridin-9-ylidene]-(phenylmethylsulfanyl)methyl]sulfanylpropyl dihydrogen phosphate Openeye Name: 3-[(10-benzylacridin-9-ylidene)-benzylsulfanyl-methyl]sulfanylpropyl dihydrogen phosphate CAS Name: 3-[[[10-(phenylmethyl)-9-acridinylidene]-(phenylmethylthio)methyl]thio]propyl dihydrogen phosphate IUPAC Name: 3-[(10-benzylacridin-9-ylidene)-benzylsulfanylmethyl]sulfanylpropyl dihydrogen phosphate Traditional Name: 3-[[(10-benzylacridin-9-ylidene)-(benzylthio)methyl]thio]propyl dihydrogen phosphate Formula: C31H30NO4PS2 MolecularWeight: 575.677961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(SCCCOP(=O)(O)O)SCC4=CC=CC=C4)C5=CC=CC=C52

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(SCCCOP(=O)(O)O)SCC4=CC=CC=C4)C5=CC=CC=C52

InChI

InChI=1S/C31H30NO4PS2/c33-37(34,35)36-20-11-21-38-31(39-23-25-14-5-2-6-15-25)30-26-16-7-9-18-28(26)32(22-24-12-3-1-4-13-24)29-19-10-8-17-27(29)30/h1-10,12-19H,11,20-23H2,(H2,33,34,35)