3-[2-[(Z)-2-ethoxyprop-1-enyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate

Systemtic Name: 3-[2-[(Z)-2-ethoxyprop-1-enyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate Openeye Name: 3-[2-[(Z)-2-ethoxyprop-1-enyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate CAS Name: 3-[2-[(Z)-2-ethoxyprop-1-enyl]-1,3-benzoxazol-3-ium-3-yl]-1-propanesulfonate IUPAC Name: 3-[2-[(Z)-2-ethoxyprop-1-enyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate Traditional Name: 3-[2-[(Z)-2-ethoxyprop-1-enyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate Formula: C15H19NO5S MolecularWeight: 325.38006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=CC1=[N+](C2=CC=CC=C2O1)CCCS(=O)(=O)[O-])C

Isomeric SMILES

CCO/C(=C\C1=[N+](C2=CC=CC=C2O1)CCCS(=O)(=O)[O-])/C

InChI

InChI=1S/C15H19NO5S/c1-3-20-12(2)11-15-16(9-6-10-22(17,18)19)13-7-4-5-8-14(13)21-15/h4-5,7-8,11H,3,6,9-10H2,1-2H3/b12-11-