[1-(3-butylpyridin-2-yl)phenoxazin-10-yl] propane-1-sulfonate

Systemtic Name: [1-(3-butylpyridin-2-yl)phenoxazin-10-yl] propane-1-sulfonate Openeye Name: [1-(3-butyl-2-pyridyl)phenoxazin-10-yl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [1-(3-butylpyridin-2-yl)phenoxazin-10-yl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [1-(3-butyl-2-pyridyl)phenoxazin-10-yl] ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=CC=C1)C2=C3C(=CC=C2)OC4=CC=CC=C4N3OS(=O)(=O)CCC

Isomeric SMILES

CCCCC1=C(N=CC=C1)C2=C3C(=CC=C2)OC4=CC=CC=C4N3OS(=O)(=O)CCC

InChI

InChI=1S/C24H26N2O4S/c1-3-5-10-18-11-9-16-25-23(18)19-12-8-15-22-24(19)26(30-31(27,28)17-4-2)20-13-6-7-14-21(20)29-22/h6-9,11-16H,3-5,10,17H2,1-2H3