9-[2-(sulfinatoamino)cyclohexa-1,5-dien-1-yl]carbonyl-10-(3-sulfopropyl)-8a,10a-dihydro-1H-acridine

Systemtic Name: 9-[2-(sulfinatoamino)cyclohexa-1,5-dien-1-yl]carbonyl-10-(3-sulfopropyl)-8a,10a-dihydro-1H-acridine Openeye Name: 9-[2-(sulfinatoamino)cyclohexa-1,5-diene-1-carbonyl]-10-(3-sulfopropyl)-8a,10a-dihydro-1H-acridine CAS Name: 9-[oxo-[2-(sulfinatoamino)-1-cyclohexa-1,5-dienyl]methyl]-10-(3-sulfopropyl)-8a,10a-dihydro-1H-acridine IUPAC Name: 9-[2-(sulfinatoamino)cyclohexa-1,5-diene-1-carbonyl]-10-(3-sulfopropyl)-8a,10a-dihydro-1H-acridine Traditional Name: 9-[2-(sulfinatoamino)cyclohexa-1,5-diene-1-carbonyl]-10-(3-sulfopropyl)-8a,10a-dihydro-1H-acridine Formula: C23H25N2O6S2- MolecularWeight: 489.5844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C=C1)C(=O)C2=C3CC=CC=C3N(C4C2C=CC=C4)CCCS(=O)(=O)O)NS(=O)[O-]

Isomeric SMILES

C1CC(=C(C=C1)C(=O)C2=C3CC=CC=C3N(C4C2C=CC=C4)CCCS(=O)(=O)O)NS(=O)[O-]

InChI

InChI=1S/C23H26N2O6S2/c26-23(16-8-1-4-11-19(16)24-32(27)28)22-17-9-2-5-12-20(17)25(14-7-15-33(29,30)31)21-13-6-3-10-18(21)22/h1-3,5-6,8-9,12-13,17,20,24H,4,7,10-11,14-15H2,(H,27,28)(H,29,30,31)/p-1