[2-(3-ethyl-3H-1,3-benzoxazol-3-ium-2-ylidene)ethenyl-phenyl-amino] ethanoate; 4-methylbenzenesulfonate

Systemtic Name: [2-(3-ethyl-3H-1,3-benzoxazol-3-ium-2-ylidene)ethenyl-phenyl-amino] ethanoate; 4-methylbenzenesulfonate Openeye Name: [N-[2-(3-ethyl-3H-1,3-benzoxazol-3-ium-2-ylidene)vinyl]anilino] acetate; 4-methylbenzenesulfonate CAS Name: acetic acid [N-[2-(3-ethyl-3H-1,3-benzoxazol-3-ium-2-ylidene)ethenyl]anilino] ester; 4-methylbenzenesulfonate IUPAC Name: [N-[2-(3-ethyl-3H-1,3-benzoxazol-3-ium-2-ylidene)ethenyl]anilino] acetate; 4-methylbenzenesulfonate Traditional Name: acetic acid [N-[2-(3-ethyl-3H-1,3-benzoxazol-3-ium-2-ylidene)vinyl]anilino] ester tosylate Formula: C26H26N2O6S MolecularWeight: 494.55944

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1C2=CC=CC=C2OC1=C=CN(C3=CC=CC=C3)OC(=O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[NH+]1C2=CC=CC=C2OC1=C=CN(C3=CC=CC=C3)OC(=O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C19H18N2O3.C7H8O3S/c1-3-20-17-11-7-8-12-18(17)23-19(20)13-14-21(24-15(2)22)16-9-5-4-6-10-16;1-6-2-4-7(5-3-6)11(8,9)10/h4-12,14H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)