4-[3-(3,4-diethylphenyl)-3-methyl-oxiran-2-yl]benzoic acid

Systemtic Name: 4-[3-(3,4-diethylphenyl)-3-methyl-oxiran-2-yl]benzoic acid Openeye Name: 4-[3-(3,4-diethylphenyl)-3-methyl-oxiran-2-yl]benzoic acid CAS Name: 4-[3-(3,4-diethylphenyl)-3-methyl-2-oxiranyl]benzoic acid IUPAC Name: 4-[3-(3,4-diethylphenyl)-3-methyloxiran-2-yl]benzoic acid Traditional Name: 4-[3-(3,4-diethylphenyl)-3-methyl-oxiran-2-yl]benzoic acid Formula: C20H22O3 MolecularWeight: 310.38688

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2(C(O2)C3=CC=C(C=C3)C(=O)O)C)CC

Isomeric SMILES

CCC1=C(C=C(C=C1)C2(C(O2)C3=CC=C(C=C3)C(=O)O)C)CC

InChI

InChI=1S/C20H22O3/c1-4-13-10-11-17(12-14(13)5-2)20(3)18(23-20)15-6-8-16(9-7-15)19(21)22/h6-12,18H,4-5H2,1-3H3,(H,21,22)