3-phenoxazin-10-yl-1-pyrimidin-2-yl-propane-1-sulfonic acid

Systemtic Name: 3-phenoxazin-10-yl-1-pyrimidin-2-yl-propane-1-sulfonic acid Openeye Name: 3-phenoxazin-10-yl-1-pyrimidin-2-yl-propane-1-sulfonic acid CAS Name: 3-(10-phenoxazinyl)-1-(2-pyrimidinyl)-1-propanesulfonic acid IUPAC Name: 3-phenoxazin-10-yl-1-pyrimidin-2-ylpropane-1-sulfonic acid Traditional Name: 3-phenoxazin-10-yl-1-(2-pyrimidyl)propane-1-sulfonic acid Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3O2)CCC(C4=NC=CC=N4)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3O2)CCC(C4=NC=CC=N4)S(=O)(=O)O

InChI

InChI=1S/C19H17N3O4S/c23-27(24,25)18(19-20-11-5-12-21-19)10-13-22-14-6-1-3-8-16(14)26-17-9-4-2-7-15(17)22/h1-9,11-12,18H,10,13H2,(H,23,24,25)