4-[5-[2,2-bis(phenylsulfonyl)ethenyl]-5-methyl-4H-1,2-oxazol-3-yl]benzoic acid

Systemtic Name: 4-[5-[2,2-bis(phenylsulfonyl)ethenyl]-5-methyl-4H-1,2-oxazol-3-yl]benzoic acid Openeye Name: 4-[5-[2,2-bis(benzenesulfonyl)vinyl]-5-methyl-4H-isoxazol-3-yl]benzoic acid CAS Name: 4-[5-[2,2-bis(benzenesulfonyl)ethenyl]-5-methyl-4H-isoxazol-3-yl]benzoic acid IUPAC Name: 4-[5-[2,2-bis(benzenesulfonyl)ethenyl]-5-methyl-4H-1,2-oxazol-3-yl]benzoic acid Traditional Name: 4-[5-(2,2-dibesylvinyl)-5-methyl-2-isoxazolin-3-yl]benzoic acid Formula: C25H21NO7S2 MolecularWeight: 511.56674

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NO1)C2=CC=C(C=C2)C(=O)O)C=C(S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1(CC(=NO1)C2=CC=C(C=C2)C(=O)O)C=C(S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H21NO7S2/c1-25(16-22(26-33-25)18-12-14-19(15-13-18)24(27)28)17-23(34(29,30)20-8-4-2-5-9-20)35(31,32)21-10-6-3-7-11-21/h2-15,17H,16H2,1H3,(H,27,28)