3-[[10-[(4-methylphenyl)methyl]acridin-9-ylidene]-methylsulfanyl-methyl]sulfanylpropane-1-sulfonic acid

Systemtic Name: 3-[[10-[(4-methylphenyl)methyl]acridin-9-ylidene]-methylsulfanyl-methyl]sulfanylpropane-1-sulfonic acid Openeye Name: 3-[methylsulfanyl-[10-(p-tolylmethyl)acridin-9-ylidene]methyl]sulfanylpropane-1-sulfonic acid CAS Name: 3-[[[10-[(4-methylphenyl)methyl]-9-acridinylidene]-(methylthio)methyl]thio]-1-propanesulfonic acid IUPAC Name: 3-[[10-[(4-methylphenyl)methyl]acridin-9-ylidene]-methylsulfanylmethyl]sulfanylpropane-1-sulfonic acid Traditional Name: 3-[[[10-(4-methylbenzyl)acridin-9-ylidene]-(methylthio)methyl]thio]propane-1-sulfonic acid Formula: C26H27NO3S3 MolecularWeight: 497.69248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(SC)SCCCS(=O)(=O)O)C4=CC=CC=C42

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(SC)SCCCS(=O)(=O)O)C4=CC=CC=C42

InChI

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