3-[4-(4-methoxycarbonylphenyl)carbonyloxybutoxycarbonyl]-5-pentoxycarbonyl-benzenesulfonic acid

Systemtic Name: 3-[4-(4-methoxycarbonylphenyl)carbonyloxybutoxycarbonyl]-5-pentoxycarbonyl-benzenesulfonic acid Openeye Name: 3-[4-(4-methoxycarbonylbenzoyl)oxybutoxycarbonyl]-5-pentoxycarbonyl-benzenesulfonic acid CAS Name: 3-[4-[(4-methoxycarbonylphenyl)-oxomethoxy]butoxy-oxomethyl]-5-[oxo(pentoxy)methyl]benzenesulfonic acid IUPAC Name: 3-[4-(4-methoxycarbonylbenzoyl)oxybutoxycarbonyl]-5-pentoxycarbonylbenzenesulfonic acid Traditional Name: 3-amoxycarbonyl-5-[4-(4-carbomethoxybenzoyl)oxybutoxycarbonyl]besylic acid Formula: C26H30O11S MolecularWeight: 550.5748

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H30O11S/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)