3-[(1E)-1-(3,10-dimethylacridin-9-ylidene)ethyl]sulfanylpropane-1-sulfonic acid

Systemtic Name: 3-[(1E)-1-(3,10-dimethylacridin-9-ylidene)ethyl]sulfanylpropane-1-sulfonic acid Openeye Name: 3-[(1E)-1-(3,10-dimethylacridin-9-ylidene)ethyl]sulfanylpropane-1-sulfonic acid CAS Name: 3-[[(1E)-1-(3,10-dimethyl-9-acridinylidene)ethyl]thio]-1-propanesulfonic acid IUPAC Name: 3-[(1E)-1-(3,10-dimethylacridin-9-ylidene)ethyl]sulfanylpropane-1-sulfonic acid Traditional Name: 3-[[(1E)-1-(3,10-dimethylacridin-9-ylidene)ethyl]thio]propane-1-sulfonic acid Formula: C20H23NO3S2 MolecularWeight: 389.53152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(C)SCCCS(=O)(=O)O)C3=CC=CC=C3N2C

Isomeric SMILES

CC1=CC2=C(C=C1)/C(=C(\C)/SCCCS(=O)(=O)O)/C3=CC=CC=C3N2C

InChI

InChI=1S/C20H23NO3S2/c1-14-9-10-17-19(13-14)21(3)18-8-5-4-7-16(18)20(17)15(2)25-11-6-12-26(22,23)24/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,22,23,24)/b20-15+