sodium 3-[[10-(phenylmethyl)acridin-9-ylidene]-propylsulfanyl-methyl]sulfanylpropane-1-sulfonate

Systemtic Name: sodium 3-[[10-(phenylmethyl)acridin-9-ylidene]-propylsulfanyl-methyl]sulfanylpropane-1-sulfonate Openeye Name: sodium 3-[(10-benzylacridin-9-ylidene)-propylsulfanyl-methyl]sulfanylpropane-1-sulfonate CAS Name: sodium 3-[[[10-(phenylmethyl)-9-acridinylidene]-(propylthio)methyl]thio]-1-propanesulfonate IUPAC Name: sodium 3-[(10-benzylacridin-9-ylidene)-propylsulfanylmethyl]sulfanylpropane-1-sulfonate Traditional Name: sodium 3-[[(10-benzylacridin-9-ylidene)-(propylthio)methyl]thio]propane-1-sulfonate Formula: C27H28NNaO3S3 MolecularWeight: 533.70089

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO3S3.Na/c1-2-17-32-27(33-18-10-19-34(29,30)31)26-22-13-6-8-15-24(22)28(20-21-11-4-3-5-12-21)25-16-9-7-14-23(25)26;/h3-9,11-16H,2,10,17-20H2,1H3,(H,29,30,31);/q;+1/p-1