3-[4-(4-ethanoylphenyl)carbonyloxybutoxycarbonyl]-5-(4-methoxybutoxycarbonyl)benzenesulfonic acid

Systemtic Name: 3-[4-(4-ethanoylphenyl)carbonyloxybutoxycarbonyl]-5-(4-methoxybutoxycarbonyl)benzenesulfonic acid Openeye Name: 3-[4-(4-acetylbenzoyl)oxybutoxycarbonyl]-5-(4-methoxybutoxycarbonyl)benzenesulfonic acid CAS Name: 3-[4-[(4-acetylphenyl)-oxomethoxy]butoxy-oxomethyl]-5-[4-methoxybutoxy(oxo)methyl]benzenesulfonic acid IUPAC Name: 3-[4-(4-acetylbenzoyl)oxybutoxycarbonyl]-5-(4-methoxybutoxycarbonyl)benzenesulfonic acid Traditional Name: 3-[4-(4-acetylbenzoyl)oxybutoxycarbonyl]-5-(4-methoxybutoxycarbonyl)besylic acid Formula: C26H30O11S MolecularWeight: 550.5748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30O11S/c1-18(27)19-7-9-20(10-8-19)24(28)35-13-5-6-14-37-26(30)22-15-21(16-23(17-22)38(31,32)33)25(29)36-12-4-3-11-34-2/h7-10,15-17H,3-6,11-14H2,1-2H3,(H,31,32,33)