(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(4-methyl-2-oxidanylidene-chromen-7-yl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(4-methyl-2-oxidanylidene-chromen-7-yl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(4-methyl-2-oxo-chromen-7-yl)sulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(4-methyl-2-oxo-1-benzopyran-7-yl)sulfonyl]-2-propenenitrile IUPAC Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(4-methyl-2-oxochromen-7-yl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(2-keto-4-methyl-chromen-7-yl)sulfonyl-acrylonitrile Formula: C27H29NO5S MolecularWeight: 479.58786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)S(=O)(=O)C(=CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C#N

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)S(=O)(=O)/C(=C/C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)/C#N

InChI

InChI=1S/C27H29NO5S/c1-16-10-24(29)33-23-14-18(8-9-20(16)23)34(31,32)19(15-28)11-17-12-21(26(2,3)4)25(30)22(13-17)27(5,6)7/h8-14,30H,1-7H3/b19-11+