sodium 3-[1-[10-(4-methylphenyl)acridin-9-ylidene]ethylsulfanyl]propane-1-sulfonate

Systemtic Name: sodium 3-[1-[10-(4-methylphenyl)acridin-9-ylidene]ethylsulfanyl]propane-1-sulfonate Openeye Name: sodium 3-[1-[10-(p-tolyl)acridin-9-ylidene]ethylsulfanyl]propane-1-sulfonate CAS Name: sodium 3-[1-[10-(4-methylphenyl)-9-acridinylidene]ethylthio]-1-propanesulfonate IUPAC Name: sodium 3-[1-[10-(4-methylphenyl)acridin-9-ylidene]ethylsulfanyl]propane-1-sulfonate Traditional Name: sodium 3-[1-[10-(p-tolyl)acridin-9-ylidene]ethylthio]propane-1-sulfonate Formula: C25H24NNaO3S2 MolecularWeight: 473.58273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=CC=CC=C3C(=C(C)SCCCS(=O)(=O)[O-])C4=CC=CC=C42.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=CC=CC=C3C(=C(C)SCCCS(=O)(=O)[O-])C4=CC=CC=C42.[Na+]

InChI

InChI=1S/C25H25NO3S2.Na/c1-18-12-14-20(15-13-18)26-23-10-5-3-8-21(23)25(22-9-4-6-11-24(22)26)19(2)30-16-7-17-31(27,28)29;/h3-6,8-15H,7,16-17H2,1-2H3,(H,27,28,29);/q;+1/p-1