4-[6-(3-bromanyl-4-methoxy-phenyl)spiro[2.4]hept-5-en-5-yl]benzenesulfinic acid

Systemtic Name: 4-[6-(3-bromanyl-4-methoxy-phenyl)spiro[2.4]hept-5-en-5-yl]benzenesulfinic acid Openeye Name: 4-[6-(3-bromo-4-methoxy-phenyl)spiro[2.4]hept-5-en-5-yl]benzenesulfinic acid CAS Name: 4-[6-(3-bromo-4-methoxyphenyl)-5-spiro[2.4]hept-5-enyl]benzenesulfinic acid IUPAC Name: 4-[6-(3-bromo-4-methoxyphenyl)spiro[2.4]hept-5-en-5-yl]benzenesulfinic acid Traditional Name: 4-[6-(3-bromo-4-methoxy-phenyl)spiro[2.4]hept-5-en-5-yl]benzenesulfinic acid Formula: C20H19BrO3S MolecularWeight: 419.33206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrO3S/c1-24-19-7-4-14(10-18(19)21)17-12-20(8-9-20)11-16(17)13-2-5-15(6-3-13)25(22)23/h2-7,10H,8-9,11-12H2,1H3,(H,22,23)