3-[9-[(4-methylphenyl)sulfonyl-(3-sulfopropyl)carbamoyl]acridin-10-ium-10-yl]propane-1-sulfonic acid

Systemtic Name: 3-[9-[(4-methylphenyl)sulfonyl-(3-sulfopropyl)carbamoyl]acridin-10-ium-10-yl]propane-1-sulfonic acid Openeye Name: 3-[9-[p-tolylsulfonyl(3-sulfopropyl)carbamoyl]acridin-10-ium-10-yl]propane-1-sulfonic acid CAS Name: 3-[9-[[(4-methylphenyl)sulfonyl-(3-sulfopropyl)amino]-oxomethyl]-10-acridin-10-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[9-[(4-methylphenyl)sulfonyl-(3-sulfopropyl)carbamoyl]acridin-10-ium-10-yl]propane-1-sulfonic acid Traditional Name: 3-[9-[3-sulfopropyl(tosyl)carbamoyl]acridin-10-ium-10-yl]propane-1-sulfonic acid Formula: C27H29N2O9S3+ MolecularWeight: 621.72216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCS(=O)(=O)O)C(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)CCCS(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCS(=O)(=O)O)C(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)CCCS(=O)(=O)O

InChI

InChI=1S/C27H28N2O9S3/c1-20-12-14-21(15-13-20)41(37,38)29(17-7-19-40(34,35)36)27(30)26-22-8-2-4-10-24(22)28(16-6-18-39(31,32)33)25-11-5-3-9-23(25)26/h2-5,8-15H,6-7,16-19H2,1H3,(H-,31,32,33,34,35,36)/p+1