3-[(4-chlorophenyl)methylsulfanyl-[10-(phenylmethyl)acridin-9-ylidene]methyl]sulfanylpropane-1-sulfonic acid

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl-[10-(phenylmethyl)acridin-9-ylidene]methyl]sulfanylpropane-1-sulfonic acid Openeye Name: 3-[(10-benzylacridin-9-ylidene)-[(4-chlorophenyl)methylsulfanyl]methyl]sulfanylpropane-1-sulfonic acid CAS Name: 3-[[[(4-chlorophenyl)methylthio]-[10-(phenylmethyl)-9-acridinylidene]methyl]thio]-1-propanesulfonic acid IUPAC Name: 3-[(10-benzylacridin-9-ylidene)-[(4-chlorophenyl)methylsulfanyl]methyl]sulfanylpropane-1-sulfonic acid Traditional Name: 3-[[(10-benzylacridin-9-ylidene)-[(4-chlorobenzyl)thio]methyl]thio]propane-1-sulfonic acid Formula: C31H28ClNO3S3 MolecularWeight: 594.20692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(SCCCS(=O)(=O)O)SCC4=CC=C(C=C4)Cl)C5=CC=CC=C52

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(SCCCS(=O)(=O)O)SCC4=CC=C(C=C4)Cl)C5=CC=CC=C52

InChI

InChI=1S/C31H28ClNO3S3/c32-25-17-15-24(16-18-25)22-38-31(37-19-8-20-39(34,35)36)30-26-11-4-6-13-28(26)33(21-23-9-2-1-3-10-23)29-14-7-5-12-27(29)30/h1-7,9-18H,8,19-22H2,(H,34,35,36)