sodium 3-[ethylsulfanyl-[10-(phenylmethyl)acridin-9-ylidene]methyl]sulfanylpropane-1-sulfonate

Systemtic Name: sodium 3-[ethylsulfanyl-[10-(phenylmethyl)acridin-9-ylidene]methyl]sulfanylpropane-1-sulfonate Openeye Name: sodium 3-[(10-benzylacridin-9-ylidene)-ethylsulfanyl-methyl]sulfanylpropane-1-sulfonate CAS Name: sodium 3-[[(ethylthio)-[10-(phenylmethyl)-9-acridinylidene]methyl]thio]-1-propanesulfonate IUPAC Name: sodium 3-[(10-benzylacridin-9-ylidene)-ethylsulfanylmethyl]sulfanylpropane-1-sulfonate Traditional Name: sodium 3-[[(10-benzylacridin-9-ylidene)-(ethylthio)methyl]thio]propane-1-sulfonate Formula: C26H26NNaO3S3 MolecularWeight: 519.67431

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=C1C2=CC=CC=C2N(C3=CC=CC=C31)CC4=CC=CC=C4)SCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCSC(=C1C2=CC=CC=C2N(C3=CC=CC=C31)CC4=CC=CC=C4)SCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C26H27NO3S3.Na/c1-2-31-26(32-17-10-18-33(28,29)30)25-21-13-6-8-15-23(21)27(19-20-11-4-3-5-12-20)24-16-9-7-14-22(24)25;/h3-9,11-16H,2,10,17-19H2,1H3,(H,28,29,30);/q;+1/p-1