1-[2,4-bis(3-methylpyridin-2-yl)phenoxazin-10-yl]propane-1-sulfonic acid

Systemtic Name: 1-[2,4-bis(3-methylpyridin-2-yl)phenoxazin-10-yl]propane-1-sulfonic acid Openeye Name: 1-[2,4-bis(3-methyl-2-pyridyl)phenoxazin-10-yl]propane-1-sulfonic acid CAS Name: 1-[2,4-bis(3-methyl-2-pyridinyl)-10-phenoxazinyl]-1-propanesulfonic acid IUPAC Name: 1-[2,4-bis(3-methylpyridin-2-yl)phenoxazin-10-yl]propane-1-sulfonic acid Traditional Name: 1-[2,4-bis(3-methyl-2-pyridyl)phenoxazin-10-yl]propane-1-sulfonic acid Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C2=CC=CC=C2OC3=C(C=C(C=C31)C4=C(C=CC=N4)C)C5=C(C=CC=N5)C)S(=O)(=O)O

Isomeric SMILES

CCC(N1C2=CC=CC=C2OC3=C(C=C(C=C31)C4=C(C=CC=N4)C)C5=C(C=CC=N5)C)S(=O)(=O)O

InChI

InChI=1S/C27H25N3O4S/c1-4-24(35(31,32)33)30-21-11-5-6-12-23(21)34-27-20(26-18(3)10-8-14-29-26)15-19(16-22(27)30)25-17(2)9-7-13-28-25/h5-16,24H,4H2,1-3H3,(H,31,32,33)