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

Systemtic Name: sodium 3-[[10-(phenylmethyl)acridin-9-ylidene]-(phenylmethylsulfanyl)methyl]sulfanylpropane-1-sulfonate Openeye Name: sodium 3-[(10-benzylacridin-9-ylidene)-benzylsulfanyl-methyl]sulfanylpropane-1-sulfonate CAS Name: sodium 3-[[[10-(phenylmethyl)-9-acridinylidene]-(phenylmethylthio)methyl]thio]-1-propanesulfonate IUPAC Name: sodium 3-[(10-benzylacridin-9-ylidene)-benzylsulfanylmethyl]sulfanylpropane-1-sulfonate Traditional Name: sodium 3-[[(10-benzylacridin-9-ylidene)-(benzylthio)methyl]thio]propane-1-sulfonate Formula: C31H28NNaO3S3 MolecularWeight: 581.74369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(SCCCS(=O)(=O)[O-])SCC4=CC=CC=C4)C5=CC=CC=C52.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(SCCCS(=O)(=O)[O-])SCC4=CC=CC=C4)C5=CC=CC=C52.[Na+]

InChI

InChI=1S/C31H29NO3S3.Na/c33-38(34,35)21-11-20-36-31(37-23-25-14-5-2-6-15-25)30-26-16-7-9-18-28(26)32(22-24-12-3-1-4-13-24)29-19-10-8-17-27(29)30;/h1-10,12-19H,11,20-23H2,(H,33,34,35);/q;+1/p-1