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

Systemtic Name: [2-[(Z)-2-(4-methoxyphenyl)-2-phenyl-ethenyl]chromen-4-ylidene]-methyl-oxidanium; 2-nitrobenzenesulfonate Openeye Name: [2-[(Z)-2-(4-methoxyphenyl)-2-phenyl-vinyl]chromen-4-ylidene]-methyl-oxonium; 2-nitrobenzenesulfonate CAS Name: [2-[(Z)-2-(4-methoxyphenyl)-2-phenylethenyl]-1-benzopyran-4-ylidene]-methyloxonium; 2-nitrobenzenesulfonate IUPAC Name: [2-[(Z)-2-(4-methoxyphenyl)-2-phenylethenyl]chromen-4-ylidene]-methyloxidanium; 2-nitrobenzenesulfonate Traditional Name: [2-[(Z)-2-(4-methoxyphenyl)-2-phenyl-vinyl]chromen-4-ylidene]-methyl-oxonium; 2-nitrobesylate Formula: C31H25NO8S MolecularWeight: 571.5971

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=CC2=CC(=[O+]C)C3=CC=CC=C3O2)C4=CC=CC=C4.C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C(=C\C2=CC(=[O+]C)C3=CC=CC=C3O2)/C4=CC=CC=C4.C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C25H21O3.C6H5NO5S/c1-26-20-14-12-19(13-15-20)23(18-8-4-3-5-9-18)16-21-17-25(27-2)22-10-6-7-11-24(22)28-21;8-7(9)5-3-1-2-4-6(5)13(10,11)12/h3-17H,1-2H3;1-4H,(H,10,11,12)/q+1;/p-1/b23-16-;