3-ethyl-2-[(3E)-4-phenylazanylbuta-1,3-dienyl]-1,3-benzoxazol-3-ium-5-sulfonate

Systemtic Name: 3-ethyl-2-[(3E)-4-phenylazanylbuta-1,3-dienyl]-1,3-benzoxazol-3-ium-5-sulfonate Openeye Name: 2-[(3E)-4-anilinobuta-1,3-dienyl]-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate CAS Name: 2-[(3E)-4-anilinobuta-1,3-dienyl]-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate IUPAC Name: 2-[(3E)-4-anilinobuta-1,3-dienyl]-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate Traditional Name: 2-[(3E)-4-anilinobuta-1,3-dienyl]-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(OC2=C1C=C(C=C2)S(=O)(=O)[O-])C=CC=CNC3=CC=CC=C3

Isomeric SMILES

CC[N+]1=C(OC2=C1C=C(C=C2)S(=O)(=O)[O-])C=C/C=C/NC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O4S/c1-2-21-17-14-16(26(22,23)24)11-12-18(17)25-19(21)10-6-7-13-20-15-8-4-3-5-9-15/h3-14H,2H2,1H3,(H,22,23,24)