5-[(3-carboxy-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid; N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine

Systemtic Name: 5-[(3-carboxy-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid; N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine Openeye Name: 5-[(3-carboxy-4-hydroxy-phenyl)methyl]-2-hydroxy-benzoic acid; N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine CAS Name: 5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid; N,N-dimethyl-1-(10-phenothiazinyl)-2-propanamine IUPAC Name: 5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid; N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine Traditional Name: 5-(3-carboxy-4-hydroxy-benzyl)-2-hydroxy-benzoic acid; dimethyl-(1-methyl-2-phenothiazin-10-yl-ethyl)amine Formula: C49H52N4O6S2 MolecularWeight: 857.09038

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.C1=CC(=C(C=C1CC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O

Isomeric SMILES

CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.C1=CC(=C(C=C1CC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O

InChI

InChI=1S/2C17H20N2S.C15H12O6/c2*1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h2*4-11,13H,12H2,1-3H3;1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)