sodium (2Z)-2-[(2E)-2-(1,3-benzoxazol-3-ium-2-ylmethylidene)butylidene]-3H-1,3-benzoxazole

Systemtic Name: sodium (2Z)-2-[(2E)-2-(1,3-benzoxazol-3-ium-2-ylmethylidene)butylidene]-3H-1,3-benzoxazole Openeye Name: sodium (2Z)-2-[(2E)-2-(1,3-benzoxazol-3-ium-2-ylmethylene)butylidene]-3H-1,3-benzoxazole CAS Name: sodium (2Z)-2-[(2E)-2-(1,3-benzoxazol-3-ium-2-ylmethylidene)butylidene]-3H-1,3-benzoxazole IUPAC Name: sodium (2Z)-2-[(2E)-2-(1,3-benzoxazol-3-ium-2-ylmethylidene)butylidene]-3H-1,3-benzoxazole Traditional Name: sodium (2Z)-2-[(E)-3-(1,3-benzoxazol-3-ium-2-yl)-2-ethyl-prop-2-enylidene]-3H-1,3-benzoxazole Formula: C19H17N2NaO2+2 MolecularWeight: 328.34025

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[NH+]C2=CC=CC=C2O1)C=C3NC4=CC=CC=C4O3.[Na+]

Isomeric SMILES

CC/C(=C\C1=[NH+]C2=CC=CC=C2O1)/C=C\3/NC4=CC=CC=C4O3.[Na+]

InChI

InChI=1S/C19H16N2O2.Na/c1-2-13(11-18-20-14-7-3-5-9-16(14)22-18)12-19-21-15-8-4-6-10-17(15)23-19;/h3-12,20H,2H2,1H3;/q;+1/p+1/b13-12+,18-11-;