6-(3-bromanyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-diene

Systemtic Name: 6-(3-bromanyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-diene Openeye Name: 6-(3-bromo-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-diene CAS Name: 6-(3-bromo-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-diene IUPAC Name: 6-(3-bromo-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-diene Traditional Name: 6-(3-bromo-4-methoxy-phenyl)-5-(4-mesylphenyl)spiro[2.4]hepta-4,6-diene Formula: C21H19BrO3S MolecularWeight: 431.34276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3(CC3)C=C2C4=CC=C(C=C4)S(=O)(=O)C)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3(CC3)C=C2C4=CC=C(C=C4)S(=O)(=O)C)Br

InChI

InChI=1S/C21H19BrO3S/c1-25-20-8-5-15(11-19(20)22)18-13-21(9-10-21)12-17(18)14-3-6-16(7-4-14)26(2,23)24/h3-8,11-13H,9-10H2,1-2H3