4-[(3-bromanyl-2,2-dimethyl-4-oxidanyl-3,4-dihydrochromen-6-yl)sulfonyl]benzenecarbonitrile

Systemtic Name: 4-[(3-bromanyl-2,2-dimethyl-4-oxidanyl-3,4-dihydrochromen-6-yl)sulfonyl]benzenecarbonitrile Openeye Name: 4-(3-bromo-4-hydroxy-2,2-dimethyl-chroman-6-yl)sulfonylbenzonitrile CAS Name: 4-[(3-bromo-4-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)sulfonyl]benzonitrile IUPAC Name: 4-[(3-bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]benzonitrile Traditional Name: 4-(3-bromo-4-hydroxy-2,2-dimethyl-chroman-6-yl)sulfonylbenzonitrile Formula: C18H16BrNO4S MolecularWeight: 422.29294

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)(=O)C3=CC=C(C=C3)C#N)O)Br)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)(=O)C3=CC=C(C=C3)C#N)O)Br)C

InChI

InChI=1S/C18H16BrNO4S/c1-18(2)17(19)16(21)14-9-13(7-8-15(14)24-18)25(22,23)12-5-3-11(10-20)4-6-12/h3-9,16-17,21H,1-2H3