(2Z)-3-ethyl-2-[3-(3-ethyl-5-methoxy-1,3-benzoxazol-3-ium-2-yl)cyclopent-2-en-1-ylidene]-5-methoxy-1,3-benzoxazole; 4-methylbenzenesulfonate

Systemtic Name: (2Z)-3-ethyl-2-[3-(3-ethyl-5-methoxy-1,3-benzoxazol-3-ium-2-yl)cyclopent-2-en-1-ylidene]-5-methoxy-1,3-benzoxazole; 4-methylbenzenesulfonate Openeye Name: (2Z)-3-ethyl-2-[3-(3-ethyl-5-methoxy-1,3-benzoxazol-3-ium-2-yl)cyclopent-2-en-1-ylidene]-5-methoxy-1,3-benzoxazole; 4-methylbenzenesulfonate CAS Name: (2Z)-3-ethyl-2-[3-(3-ethyl-5-methoxy-1,3-benzoxazol-3-ium-2-yl)-1-cyclopent-2-enylidene]-5-methoxy-1,3-benzoxazole; 4-methylbenzenesulfonate IUPAC Name: (2Z)-3-ethyl-2-[3-(3-ethyl-5-methoxy-1,3-benzoxazol-3-ium-2-yl)cyclopent-2-en-1-ylidene]-5-methoxy-1,3-benzoxazole; 4-methylbenzenesulfonate Traditional Name: (2Z)-3-ethyl-2-[3-(3-ethyl-5-methoxy-1,3-benzoxazol-3-ium-2-yl)cyclopent-2-en-1-ylidene]-5-methoxy-1,3-benzoxazole tosylate Formula: C32H34N2O7S MolecularWeight: 590.68656

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)OC)OC1=C3CCC(=C3)C4=[N+](C5=C(O4)C=CC(=C5)OC)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN\1C2=C(C=CC(=C2)OC)O/C1=C\3/CCC(=C3)C4=[N+](C5=C(O4)C=CC(=C5)OC)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C25H27N2O4.C7H8O3S/c1-5-26-20-14-18(28-3)9-11-22(20)30-24(26)16-7-8-17(13-16)25-27(6-2)21-15-19(29-4)10-12-23(21)31-25;1-6-2-4-7(5-3-6)11(8,9)10/h9-15H,5-8H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1