2-[2-(acridin-9-ylamino)-4-(hydroxymethyl)-6-(2-sulfoethylamino)phenyl]ethanesulfonic acid

Systemtic Name: 2-[2-(acridin-9-ylamino)-4-(hydroxymethyl)-6-(2-sulfoethylamino)phenyl]ethanesulfonic acid Openeye Name: 2-[2-(acridin-9-ylamino)-4-(hydroxymethyl)-6-(2-sulfoethylamino)phenyl]ethanesulfonic acid CAS Name: 2-[2-(9-acridinylamino)-4-(hydroxymethyl)-6-(2-sulfoethylamino)phenyl]ethanesulfonic acid IUPAC Name: 2-[2-(acridin-9-ylamino)-4-(hydroxymethyl)-6-(2-sulfoethylamino)phenyl]ethanesulfonic acid Traditional Name: 2-[2-(acridin-9-ylamino)-4-methylol-6-(2-sulfoethylamino)phenyl]ethanesulfonic acid Formula: C24H25N3O7S2 MolecularWeight: 531.6012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=C(C(=CC(=C4)CO)NCCS(=O)(=O)O)CCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=C(C(=CC(=C4)CO)NCCS(=O)(=O)O)CCS(=O)(=O)O

InChI

InChI=1S/C24H25N3O7S2/c28-15-16-13-22(25-10-12-36(32,33)34)17(9-11-35(29,30)31)23(14-16)27-24-18-5-1-3-7-20(18)26-21-8-4-2-6-19(21)24/h1-8,13-14,25,28H,9-12,15H2,(H,26,27)(H,29,30,31)(H,32,33,34)