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

Systemtic Name: sodium 3-[1-[10-[(4-chlorophenyl)methyl]acridin-9-ylidene]ethylsulfanyl]propane-1-sulfonate Openeye Name: sodium 3-[1-[10-[(4-chlorophenyl)methyl]acridin-9-ylidene]ethylsulfanyl]propane-1-sulfonate CAS Name: sodium 3-[1-[10-[(4-chlorophenyl)methyl]-9-acridinylidene]ethylthio]-1-propanesulfonate IUPAC Name: sodium 3-[1-[10-[(4-chlorophenyl)methyl]acridin-9-ylidene]ethylsulfanyl]propane-1-sulfonate Traditional Name: sodium 3-[1-[10-(4-chlorobenzyl)acridin-9-ylidene]ethylthio]propane-1-sulfonate Formula: C25H23ClNNaO3S2 MolecularWeight: 508.02779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClNO3S2.Na/c1-18(31-15-6-16-32(28,29)30)25-21-7-2-4-9-23(21)27(24-10-5-3-8-22(24)25)17-19-11-13-20(26)14-12-19;/h2-5,7-14H,6,15-17H2,1H3,(H,28,29,30);/q;+1/p-1