[2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methyl-3-phenyl-chromen-4-ylidene]-methyl-oxidanium; 2-nitrobenzenesulfonate

Systemtic Name: [2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methyl-3-phenyl-chromen-4-ylidene]-methyl-oxidanium; 2-nitrobenzenesulfonate Openeye Name: [2-[(E)-2-(4-methoxyphenyl)vinyl]-6-methyl-3-phenyl-chromen-4-ylidene]-methyl-oxonium; 2-nitrobenzenesulfonate CAS Name: [2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methyl-3-phenyl-1-benzopyran-4-ylidene]-methyloxonium; 2-nitrobenzenesulfonate IUPAC Name: [2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methyl-3-phenylchromen-4-ylidene]-methyloxidanium; 2-nitrobenzenesulfonate Traditional Name: [2-[(E)-2-(4-methoxyphenyl)vinyl]-6-methyl-3-phenyl-chromen-4-ylidene]-methyl-oxonium; 2-nitrobesylate Formula: C32H27NO8S MolecularWeight: 585.62368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C(C2=[O+]C)C3=CC=CC=C3)C=CC4=CC=C(C=C4)OC.C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C(C2=[O+]C)C3=CC=CC=C3)/C=C/C4=CC=C(C=C4)OC.C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C26H23O3.C6H5NO5S/c1-18-9-15-23-22(17-18)26(28-3)25(20-7-5-4-6-8-20)24(29-23)16-12-19-10-13-21(27-2)14-11-19;8-7(9)5-3-1-2-4-6(5)13(10,11)12/h4-17H,1-3H3;1-4H,(H,10,11,12)/q+1;/p-1/b16-12+;