(E)-2-(2-methanoylphenyl)-8-(phenylsulfonyl)oct-7-enoic acid

Systemtic Name: (E)-2-(2-methanoylphenyl)-8-(phenylsulfonyl)oct-7-enoic acid Openeye Name: (E)-8-(benzenesulfonyl)-2-(2-formylphenyl)oct-7-enoic acid CAS Name: (E)-8-(benzenesulfonyl)-2-(2-formylphenyl)-7-octenoic acid IUPAC Name: (E)-8-(benzenesulfonyl)-2-(2-formylphenyl)oct-7-enoic acid Traditional Name: (E)-8-besyl-2-(2-formylphenyl)oct-7-enoic acid Formula: C21H22O5S MolecularWeight: 386.46138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C=CCCCCC(C2=CC=CC=C2C=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)/C=C/CCCCC(C2=CC=CC=C2C=O)C(=O)O

InChI

InChI=1S/C21H22O5S/c22-16-17-10-7-8-13-19(17)20(21(23)24)14-6-1-2-9-15-27(25,26)18-11-4-3-5-12-18/h3-5,7-13,15-16,20H,1-2,6,14H2,(H,23,24)/b15-9+