(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-naphthalen-1-ylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-naphthalen-1-ylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(1-naphthylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(1-naphthalenylsulfonyl)-2-propenenitrile IUPAC Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-naphthalen-1-ylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(1-naphthylsulfonyl)acrylonitrile Formula: C27H29NO3S MolecularWeight: 447.58906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)S(=O)(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(\C#N)/S(=O)(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C27H29NO3S/c1-26(2,3)22-15-18(16-23(25(22)29)27(4,5)6)14-20(17-28)32(30,31)24-13-9-11-19-10-7-8-12-21(19)24/h7-16,29H,1-6H3/b20-14+