sodium 3-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propylamino]methyl]-2-oxidanyl-benzoate

Systemtic Name: sodium 3-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propylamino]methyl]-2-oxidanyl-benzoate Openeye Name: sodium 3-[[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propylamino]methyl]-2-hydroxy-benzoate CAS Name: sodium 3-[[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propylamino]methyl]-2-hydroxybenzoate IUPAC Name: sodium 3-[[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propylamino]methyl]-2-hydroxybenzoate Traditional Name: sodium 2-hydroxy-3-[[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propylamino]methyl]benzoate Formula: C25H25N2NaO4S MolecularWeight: 472.53177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=CC=CC(=C4O)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=CC=CC(=C4O)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C25H26N2O4S.Na/c1-16-11-12-22-23(17(16)2)27(20-9-3-4-10-21(20)32(22)31)14-6-13-26-15-18-7-5-8-19(24(18)28)25(29)30;/h3-5,7-12,26,28H,6,13-15H2,1-2H3,(H,29,30);/q;+1/p-1