sodium 3-[4-(4-methoxycarbonylphenyl)carbonyloxybutoxycarbonyl]-5-pentoxycarbonyl-benzenesulfonate

Systemtic Name: sodium 3-[4-(4-methoxycarbonylphenyl)carbonyloxybutoxycarbonyl]-5-pentoxycarbonyl-benzenesulfonate Openeye Name: sodium 3-[4-(4-methoxycarbonylbenzoyl)oxybutoxycarbonyl]-5-pentoxycarbonyl-benzenesulfonate CAS Name: sodium 3-[4-[(4-methoxycarbonylphenyl)-oxomethoxy]butoxy-oxomethyl]-5-[oxo(pentoxy)methyl]benzenesulfonate IUPAC Name: sodium 3-[4-(4-methoxycarbonylbenzoyl)oxybutoxycarbonyl]-5-pentoxycarbonylbenzenesulfonate Traditional Name: sodium 3-amoxycarbonyl-5-[4-(4-carbomethoxybenzoyl)oxybutoxycarbonyl]besylate Formula: C26H29NaO11S MolecularWeight: 572.55663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30O11S.Na/c1-3-4-5-12-36-25(29)20-15-21(17-22(16-20)38(31,32)33)26(30)37-14-7-6-13-35-24(28)19-10-8-18(9-11-19)23(27)34-2;/h8-11,15-17H,3-7,12-14H2,1-2H3,(H,31,32,33);/q;+1/p-1