pentyl 4-oxidanyl-3-(2-oxidanyl-5-pentoxycarbonyl-phenyl)sulfonyl-benzoate

Systemtic Name: pentyl 4-oxidanyl-3-(2-oxidanyl-5-pentoxycarbonyl-phenyl)sulfonyl-benzoate Openeye Name: pentyl 4-hydroxy-3-(2-hydroxy-5-pentoxycarbonyl-phenyl)sulfonyl-benzoate CAS Name: 4-hydroxy-3-[2-hydroxy-5-[oxo(pentoxy)methyl]phenyl]sulfonylbenzoic acid pentyl ester IUPAC Name: pentyl 4-hydroxy-3-(2-hydroxy-5-pentoxycarbonylphenyl)sulfonylbenzoate Traditional Name: 3-(5-amoxycarbonyl-2-hydroxy-phenyl)sulfonyl-4-hydroxy-benzoic acid amyl ester Formula: C24H30O8S MolecularWeight: 478.5552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC(=C(C=C1)O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCCC)O

Isomeric SMILES

CCCCCOC(=O)C1=CC(=C(C=C1)O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCCC)O

InChI

InChI=1S/C24H30O8S/c1-3-5-7-13-31-23(27)17-9-11-19(25)21(15-17)33(29,30)22-16-18(10-12-20(22)26)24(28)32-14-8-6-4-2/h9-12,15-16,25-26H,3-8,13-14H2,1-2H3