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

Systemtic Name: sodium 3-[1-[10-[(4-methylphenyl)methyl]acridin-9-ylidene]ethylsulfanyl]propane-1-sulfonate Openeye Name: sodium 3-[1-[10-(p-tolylmethyl)acridin-9-ylidene]ethylsulfanyl]propane-1-sulfonate CAS Name: sodium 3-[1-[10-[(4-methylphenyl)methyl]-9-acridinylidene]ethylthio]-1-propanesulfonate IUPAC Name: sodium 3-[1-[10-[(4-methylphenyl)methyl]acridin-9-ylidene]ethylsulfanyl]propane-1-sulfonate Traditional Name: sodium 3-[1-[10-(4-methylbenzyl)acridin-9-ylidene]ethylthio]propane-1-sulfonate Formula: C26H26NNaO3S2 MolecularWeight: 487.60931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C)SCCCS(=O)(=O)[O-])C4=CC=CC=C42.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C)SCCCS(=O)(=O)[O-])C4=CC=CC=C42.[Na+]

InChI

InChI=1S/C26H27NO3S2.Na/c1-19-12-14-21(15-13-19)18-27-24-10-5-3-8-22(24)26(23-9-4-6-11-25(23)27)20(2)31-16-7-17-32(28,29)30;/h3-6,8-15H,7,16-18H2,1-2H3,(H,28,29,30);/q;+1/p-1