sodium 3-[(10-methylacridin-9-ylidene)-methylsulfanyl-methyl]sulfanylpropane-1-sulfonate

Systemtic Name: sodium 3-[(10-methylacridin-9-ylidene)-methylsulfanyl-methyl]sulfanylpropane-1-sulfonate Openeye Name: sodium 3-[(10-methylacridin-9-ylidene)-methylsulfanyl-methyl]sulfanylpropane-1-sulfonate CAS Name: sodium 3-[[(10-methyl-9-acridinylidene)-(methylthio)methyl]thio]-1-propanesulfonate IUPAC Name: sodium 3-[(10-methylacridin-9-ylidene)-methylsulfanylmethyl]sulfanylpropane-1-sulfonate Traditional Name: sodium 3-[[(10-methylacridin-9-ylidene)-(methylthio)methyl]thio]propane-1-sulfonate Formula: C19H20NNaO3S3 MolecularWeight: 429.55177

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C(SC)SCCCS(=O)(=O)[O-])C3=CC=CC=C31.[Na+]

Isomeric SMILES

CN1C2=CC=CC=C2C(=C(SC)SCCCS(=O)(=O)[O-])C3=CC=CC=C31.[Na+]

InChI

InChI=1S/C19H21NO3S3.Na/c1-20-16-10-5-3-8-14(16)18(15-9-4-6-11-17(15)20)19(24-2)25-12-7-13-26(21,22)23;/h3-6,8-11H,7,12-13H2,1-2H3,(H,21,22,23);/q;+1/p-1