(2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzoxazole; ethyl sulfate

Systemtic Name: (2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzoxazole; ethyl sulfate Openeye Name: (2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzoxazol-3-ium-2-yl)methylene]butylidene]-1,3-benzoxazole; ethyl sulfate CAS Name: (2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzoxazole; ethyl sulfate IUPAC Name: (2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzoxazole; ethyl sulfate Traditional Name: 3-ethyl-2-[(E)-2-[(Z)-(3-ethyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoxazol-3-ium; ethyl sulfate Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=CC=CC=C2O1)CC)C=C3N(C4=CC=CC=C4O3)CC.CCOS(=O)(=O)[O-]

Isomeric SMILES

CC/C(=C\C1=[N+](C2=CC=CC=C2O1)CC)/C=C\3/N(C4=CC=CC=C4O3)CC.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C23H25N2O2.C2H6O4S/c1-4-17(15-22-24(5-2)18-11-7-9-13-20(18)26-22)16-23-25(6-3)19-12-8-10-14-21(19)27-23;1-2-6-7(3,4)5/h7-16H,4-6H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1