sodium 3-[1-(10-naphthalen-2-ylacridin-9-ylidene)ethylsulfanyl]propane-1-sulfonate

Systemtic Name: sodium 3-[1-(10-naphthalen-2-ylacridin-9-ylidene)ethylsulfanyl]propane-1-sulfonate Openeye Name: sodium 3-[1-[10-(2-naphthyl)acridin-9-ylidene]ethylsulfanyl]propane-1-sulfonate CAS Name: sodium 3-[1-[10-(2-naphthalenyl)-9-acridinylidene]ethylthio]-1-propanesulfonate IUPAC Name: sodium 3-[1-(10-naphthalen-2-ylacridin-9-ylidene)ethylsulfanyl]propane-1-sulfonate Traditional Name: sodium 3-[1-[10-(2-naphthyl)acridin-9-ylidene]ethylthio]propane-1-sulfonate Formula: C28H24NNaO3S2 MolecularWeight: 509.61483

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC5=CC=CC=C5C=C4)SCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=C1C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC5=CC=CC=C5C=C4)SCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C28H25NO3S2.Na/c1-20(33-17-8-18-34(30,31)32)28-24-11-4-6-13-26(24)29(27-14-7-5-12-25(27)28)23-16-15-21-9-2-3-10-22(21)19-23;/h2-7,9-16,19H,8,17-18H2,1H3,(H,30,31,32);/q;+1/p-1