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

Systemtic Name: sodium [(E)-(10-methyl-4a,9a-dihydroacridin-9-ylidene)-phenylsulfanyl-methyl] hydrogen phosphate Openeye Name: sodium [(E)-(10-methyl-4a,9a-dihydroacridin-9-ylidene)-phenylsulfanyl-methyl] hydrogen phosphate CAS Name: sodium [(E)-(10-methyl-4a,9a-dihydroacridin-9-ylidene)-(phenylthio)methyl] hydrogen phosphate IUPAC Name: sodium [(E)-(10-methyl-4a,9a-dihydroacridin-9-ylidene)-phenylsulfanylmethyl] hydrogen phosphate Traditional Name: sodium [(E)-(10-methyl-4a,9a-dihydroacridin-9-ylidene)-(phenylthio)methyl] hydrogen phosphate Formula: C21H19NNaO4PS MolecularWeight: 435.408391

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C=CC=CC2C(=C(OP(=O)(O)[O-])SC3=CC=CC=C3)C4=CC=CC=C41.[Na+]

Isomeric SMILES

CN1C2C=CC=CC2/C(=C(/OP(=O)(O)[O-])\SC3=CC=CC=C3)/C4=CC=CC=C41.[Na+]

InChI

InChI=1S/C21H20NO4PS.Na/c1-22-18-13-7-5-11-16(18)20(17-12-6-8-14-19(17)22)21(26-27(23,24)25)28-15-9-3-2-4-10-15;/h2-14,16,18H,1H3,(H2,23,24,25);/q;+1/p-1/b21-20+;