sodium 3-[4-(4-ethanoylphenyl)carbonyloxybutoxycarbonyl]-5-(4-methoxybutoxycarbonyl)benzenesulfonate

Systemtic Name: sodium 3-[4-(4-ethanoylphenyl)carbonyloxybutoxycarbonyl]-5-(4-methoxybutoxycarbonyl)benzenesulfonate Openeye Name: sodium 3-[4-(4-acetylbenzoyl)oxybutoxycarbonyl]-5-(4-methoxybutoxycarbonyl)benzenesulfonate CAS Name: sodium 3-[4-[(4-acetylphenyl)-oxomethoxy]butoxy-oxomethyl]-5-[4-methoxybutoxy(oxo)methyl]benzenesulfonate IUPAC Name: sodium 3-[4-(4-acetylbenzoyl)oxybutoxycarbonyl]-5-(4-methoxybutoxycarbonyl)benzenesulfonate Traditional Name: sodium 3-[4-(4-acetylbenzoyl)oxybutoxycarbonyl]-5-(4-methoxybutoxycarbonyl)besylate Formula: C26H29NaO11S MolecularWeight: 572.55663

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.[Na+]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(=O)OCCCCOC(=O)C2=CC(=CC(=C2)S(=O)(=O)[O-])C(=O)OCCCCOC.[Na+]

InChI

InChI=1S/C26H30O11S.Na/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);/q;+1/p-1