4-[2-[(E)-prop-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]butane-1-sulfonate

Systemtic Name: 4-[2-[(E)-prop-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]butane-1-sulfonate Openeye Name: 4-[2-[(E)-prop-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]butane-1-sulfonate CAS Name: 4-[2-[(E)-prop-1-enyl]-1-benzo[e][1,3]benzoxazol-1-iumyl]-1-butanesulfonate IUPAC Name: 4-[2-[(E)-prop-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]butane-1-sulfonate Traditional Name: 4-[2-[(E)-prop-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]butane-1-sulfonate Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=[N+](C2=C(O1)C=CC3=CC=CC=C32)CCCCS(=O)(=O)[O-]

Isomeric SMILES

C/C=C/C1=[N+](C2=C(O1)C=CC3=CC=CC=C32)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C18H19NO4S/c1-2-7-17-19(12-5-6-13-24(20,21)22)18-15-9-4-3-8-14(15)10-11-16(18)23-17/h2-4,7-11H,5-6,12-13H2,1H3/b7-2+