3-[(10-methylacridin-9-ylidene)-methylsulfanyl-methyl]sulfanylpropane-1-sulfonic acid

Systemtic Name: 3-[(10-methylacridin-9-ylidene)-methylsulfanyl-methyl]sulfanylpropane-1-sulfonic acid Openeye Name: 3-[(10-methylacridin-9-ylidene)-methylsulfanyl-methyl]sulfanylpropane-1-sulfonic acid CAS Name: 3-[[(10-methyl-9-acridinylidene)-(methylthio)methyl]thio]-1-propanesulfonic acid IUPAC Name: 3-[(10-methylacridin-9-ylidene)-methylsulfanylmethyl]sulfanylpropane-1-sulfonic acid Traditional Name: 3-[[(10-methylacridin-9-ylidene)-(methylthio)methyl]thio]propane-1-sulfonic acid Formula: C19H21NO3S3 MolecularWeight: 407.56994

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C(SC)SCCCS(=O)(=O)O)C3=CC=CC=C31

Isomeric SMILES

CN1C2=CC=CC=C2C(=C(SC)SCCCS(=O)(=O)O)C3=CC=CC=C31

InChI

InChI=1S/C19H21NO3S3/c1-20-16-10-5-3-8-14(16)18(15-9-4-6-11-17(15)20)19(24-2)25-12-7-13-26(21,22)23/h3-6,8-11H,7,12-13H2,1-2H3,(H,21,22,23)