sodium 3-[[10-[(4-methoxyphenyl)methyl]acridin-9-ylidene]-methylsulfanyl-methyl]sulfanylpropane-1-sulfonate

Systemtic Name: sodium 3-[[10-[(4-methoxyphenyl)methyl]acridin-9-ylidene]-methylsulfanyl-methyl]sulfanylpropane-1-sulfonate Openeye Name: sodium 3-[[10-[(4-methoxyphenyl)methyl]acridin-9-ylidene]-methylsulfanyl-methyl]sulfanylpropane-1-sulfonate CAS Name: sodium 3-[[[10-[(4-methoxyphenyl)methyl]-9-acridinylidene]-(methylthio)methyl]thio]-1-propanesulfonate IUPAC Name: sodium 3-[[10-[(4-methoxyphenyl)methyl]acridin-9-ylidene]-methylsulfanylmethyl]sulfanylpropane-1-sulfonate Traditional Name: sodium 3-[[(methylthio)-(10-p-anisylacridin-9-ylidene)methyl]thio]propane-1-sulfonate Formula: C26H26NNaO4S3 MolecularWeight: 535.67371

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(SC)SCCCS(=O)(=O)[O-])C4=CC=CC=C42.[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(SC)SCCCS(=O)(=O)[O-])C4=CC=CC=C42.[Na+]

InChI

InChI=1S/C26H27NO4S3.Na/c1-31-20-14-12-19(13-15-20)18-27-23-10-5-3-8-21(23)25(22-9-4-6-11-24(22)27)26(32-2)33-16-7-17-34(28,29)30;/h3-6,8-15H,7,16-18H2,1-2H3,(H,28,29,30);/q;+1/p-1