sodium [(E)-(10-methyl-4a,9a-dihydroacridin-9-ylidene)-naphthalen-2-ylsulfanyl-methyl] hydrogen phosphate

Systemtic Name: sodium [(E)-(10-methyl-4a,9a-dihydroacridin-9-ylidene)-naphthalen-2-ylsulfanyl-methyl] hydrogen phosphate Openeye Name: sodium [(E)-(10-methyl-4a,9a-dihydroacridin-9-ylidene)-(2-naphthylsulfanyl)methyl] hydrogen phosphate CAS Name: sodium [(E)-(10-methyl-4a,9a-dihydroacridin-9-ylidene)-(2-naphthalenylthio)methyl] hydrogen phosphate IUPAC Name: sodium [(E)-(10-methyl-4a,9a-dihydroacridin-9-ylidene)-naphthalen-2-ylsulfanylmethyl] hydrogen phosphate Traditional Name: sodium [(E)-(10-methyl-4a,9a-dihydroacridin-9-ylidene)-(2-naphthylthio)methyl] hydrogen phosphate Formula: C25H21NNaO4PS MolecularWeight: 485.467071

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C=CC=CC2C(=C(OP(=O)(O)[O-])SC3=CC4=CC=CC=C4C=C3)C5=CC=CC=C51.[Na+]

Isomeric SMILES

CN1C2C=CC=CC2/C(=C(/OP(=O)(O)[O-])\SC3=CC4=CC=CC=C4C=C3)/C5=CC=CC=C51.[Na+]

InChI

InChI=1S/C25H22NO4PS.Na/c1-26-22-12-6-4-10-20(22)24(21-11-5-7-13-23(21)26)25(30-31(27,28)29)32-19-15-14-17-8-2-3-9-18(17)16-19;/h2-16,20,22H,1H3,(H2,27,28,29);/q;+1/p-1/b25-24+;