2-ethoxycarbonyl-5-[(4-methoxycarbonylphenyl)carbonyloxymethoxycarbonyl]benzenesulfonic acid

Systemtic Name: 2-ethoxycarbonyl-5-[(4-methoxycarbonylphenyl)carbonyloxymethoxycarbonyl]benzenesulfonic acid Openeye Name: 2-ethoxycarbonyl-5-[(4-methoxycarbonylbenzoyl)oxymethoxycarbonyl]benzenesulfonic acid CAS Name: 2-ethoxycarbonyl-5-[[(4-methoxycarbonylphenyl)-oxomethoxy]methoxy-oxomethyl]benzenesulfonic acid IUPAC Name: 2-ethoxycarbonyl-5-[(4-methoxycarbonylbenzoyl)oxymethoxycarbonyl]benzenesulfonic acid Traditional Name: 2-carbethoxy-5-[(4-carbomethoxybenzoyl)oxymethoxycarbonyl]besylic acid Formula: C20H18O11S MolecularWeight: 466.41532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)C(=O)OCOC(=O)C2=CC=C(C=C2)C(=O)OC)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C(=O)OCOC(=O)C2=CC=C(C=C2)C(=O)OC)S(=O)(=O)O

InChI

InChI=1S/C20H18O11S/c1-3-29-20(24)15-9-8-14(10-16(15)32(25,26)27)19(23)31-11-30-18(22)13-6-4-12(5-7-13)17(21)28-2/h4-10H,3,11H2,1-2H3,(H,25,26,27)