(E,3S)-3-phenyl-6,6-bis(phenylsulfonyl)hept-4-enoic acid

Systemtic Name: (E,3S)-3-phenyl-6,6-bis(phenylsulfonyl)hept-4-enoic acid Openeye Name: (E,3S)-6,6-bis(benzenesulfonyl)-3-phenyl-hept-4-enoic acid CAS Name: (E,3S)-6,6-bis(benzenesulfonyl)-3-phenyl-4-heptenoic acid IUPAC Name: (E,3S)-6,6-bis(benzenesulfonyl)-3-phenylhept-4-enoic acid Traditional Name: (E,3S)-6,6-dibesyl-3-phenyl-hept-4-enoic acid Formula: C25H24O6S2 MolecularWeight: 484.58446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC(CC(=O)O)C1=CC=CC=C1)(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(/C=C/[C@H](CC(=O)O)C1=CC=CC=C1)(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H24O6S2/c1-25(32(28,29)22-13-7-3-8-14-22,33(30,31)23-15-9-4-10-16-23)18-17-21(19-24(26)27)20-11-5-2-6-12-20/h2-18,21H,19H2,1H3,(H,26,27)/b18-17+/t21-/m1/s1