3-[(Z)-(3-methoxy-10-phenyl-acridin-9-ylidene)-methylsulfanyl-methyl]sulfanylpropane-1-sulfonic acid

Systemtic Name: 3-[(Z)-(3-methoxy-10-phenyl-acridin-9-ylidene)-methylsulfanyl-methyl]sulfanylpropane-1-sulfonic acid Openeye Name: 3-[(Z)-(3-methoxy-10-phenyl-acridin-9-ylidene)-methylsulfanyl-methyl]sulfanylpropane-1-sulfonic acid CAS Name: 3-[[(Z)-(3-methoxy-10-phenyl-9-acridinylidene)-(methylthio)methyl]thio]-1-propanesulfonic acid IUPAC Name: 3-[(Z)-(3-methoxy-10-phenylacridin-9-ylidene)-methylsulfanylmethyl]sulfanylpropane-1-sulfonic acid Traditional Name: 3-[[(Z)-(3-methoxy-10-phenyl-acridin-9-ylidene)-(methylthio)methyl]thio]propane-1-sulfonic acid Formula: C25H25NO4S3 MolecularWeight: 499.6653

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(SC)SCCCS(=O)(=O)O)C3=CC=CC=C3N2C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)/C(=C(/SC)\SCCCS(=O)(=O)O)/C3=CC=CC=C3N2C4=CC=CC=C4

InChI

InChI=1S/C25H25NO4S3/c1-30-19-13-14-21-23(17-19)26(18-9-4-3-5-10-18)22-12-7-6-11-20(22)24(21)25(31-2)32-15-8-16-33(27,28)29/h3-7,9-14,17H,8,15-16H2,1-2H3,(H,27,28,29)/b25-24-