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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO3S2.Na/c1-19(30-16-9-17-31(27,28)29)25-21-12-5-7-14-23(21)26(18-20-10-3-2-4-11-20)24-15-8-6-13-22(24)25;/h2-8,10-15H,9,16-18H2,1H3,(H,27,28,29);/q;+1/p-1