3-(10-oxidanylphenothiazin-1-yl)-2-phosphono-propanoic acid

Systemtic Name: 3-(10-oxidanylphenothiazin-1-yl)-2-phosphono-propanoic acid Openeye Name: 3-(10-hydroxyphenothiazin-1-yl)-2-phosphono-propanoic acid CAS Name: 3-(10-hydroxy-1-phenothiazinyl)-2-phosphonopropanoic acid IUPAC Name: 3-(10-hydroxyphenothiazin-1-yl)-2-phosphonopropanoic acid Traditional Name: 3-(10-hydroxyphenothiazin-1-yl)-2-phosphono-propionic acid Formula: C15H14NO6PS MolecularWeight: 367.313521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=C(C=CC=C3S2)CC(C(=O)O)P(=O)(O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(C=CC=C3S2)CC(C(=O)O)P(=O)(O)O)O

InChI

InChI=1S/C15H14NO6PS/c17-15(18)11(23(20,21)22)8-9-4-3-7-13-14(9)16(19)10-5-1-2-6-12(10)24-13/h1-7,11,19H,8H2,(H,17,18)(H2,20,21,22)