sodium (2Z)-2-[(E)-3-(1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-3H-1,3-benzoxazole

Systemtic Name: sodium (2Z)-2-[(E)-3-(1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-3H-1,3-benzoxazole Openeye Name: sodium (2Z)-2-[(E)-3-(1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-3H-1,3-benzoxazole CAS Name: sodium (2Z)-2-[(E)-3-(1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-3H-1,3-benzoxazole IUPAC Name: sodium (2Z)-2-[(E)-3-(1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-3H-1,3-benzoxazole Traditional Name: sodium (2Z)-2-[(E)-3-(1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-3H-1,3-benzoxazole Formula: C17H13N2NaO2+2 MolecularWeight: 300.28709

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=CC=CC3=[NH+]C4=CC=CC=C4O3)O2.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C/C=C/C3=[NH+]C4=CC=CC=C4O3)/O2.[Na+]

InChI

InChI=1S/C17H12N2O2.Na/c1-3-8-14-12(6-1)18-16(20-14)10-5-11-17-19-13-7-2-4-9-15(13)21-17;/h1-11,18H;/q;+1/p+1/b11-5+,16-10-;