sodium 3-[(1E)-1-(3,10-dimethylacridin-9-ylidene)ethyl]sulfanylpropane-1-sulfonate

Systemtic Name: sodium 3-[(1E)-1-(3,10-dimethylacridin-9-ylidene)ethyl]sulfanylpropane-1-sulfonate Openeye Name: sodium 3-[(1E)-1-(3,10-dimethylacridin-9-ylidene)ethyl]sulfanylpropane-1-sulfonate CAS Name: sodium 3-[[(1E)-1-(3,10-dimethyl-9-acridinylidene)ethyl]thio]-1-propanesulfonate IUPAC Name: sodium 3-[(1E)-1-(3,10-dimethylacridin-9-ylidene)ethyl]sulfanylpropane-1-sulfonate Traditional Name: sodium 3-[[(1E)-1-(3,10-dimethylacridin-9-ylidene)ethyl]thio]propane-1-sulfonate Formula: C20H22NNaO3S2 MolecularWeight: 411.51335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(C)SCCCS(=O)(=O)[O-])C3=CC=CC=C3N2C.[Na+]

Isomeric SMILES

CC1=CC2=C(C=C1)/C(=C(\C)/SCCCS(=O)(=O)[O-])/C3=CC=CC=C3N2C.[Na+]

InChI

InChI=1S/C20H23NO3S2.Na/c1-14-9-10-17-19(13-14)21(3)18-8-5-4-7-16(18)20(17)15(2)25-11-6-12-26(22,23)24;/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,22,23,24);/q;+1/p-1/b20-15+;