3-[[10-(phenylmethyl)acridin-9-ylidene]-propylsulfanyl-methyl]sulfanylpropane-1-sulfonic acid

Systemtic Name: 3-[[10-(phenylmethyl)acridin-9-ylidene]-propylsulfanyl-methyl]sulfanylpropane-1-sulfonic acid Openeye Name: 3-[(10-benzylacridin-9-ylidene)-propylsulfanyl-methyl]sulfanylpropane-1-sulfonic acid CAS Name: 3-[[[10-(phenylmethyl)-9-acridinylidene]-(propylthio)methyl]thio]-1-propanesulfonic acid IUPAC Name: 3-[(10-benzylacridin-9-ylidene)-propylsulfanylmethyl]sulfanylpropane-1-sulfonic acid Traditional Name: 3-[[(10-benzylacridin-9-ylidene)-(propylthio)methyl]thio]propane-1-sulfonic acid Formula: C27H29NO3S3 MolecularWeight: 511.71906

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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

Isomeric SMILES

CCCSC(=C1C2=CC=CC=C2N(C3=CC=CC=C31)CC4=CC=CC=C4)SCCCS(=O)(=O)O

InChI

InChI=1S/C27H29NO3S3/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)