2-[3-[2,3-bis(methoxycarbonyl)phenyl]propyl]-4-methyl-benzenesulfonic acid

Systemtic Name: 2-[3-[2,3-bis(methoxycarbonyl)phenyl]propyl]-4-methyl-benzenesulfonic acid Openeye Name: 2-[3-[2,3-bis(methoxycarbonyl)phenyl]propyl]-4-methyl-benzenesulfonic acid CAS Name: 2-[3-[2,3-bis(methoxycarbonyl)phenyl]propyl]-4-methylbenzenesulfonic acid IUPAC Name: 2-[3-[2,3-bis(methoxycarbonyl)phenyl]propyl]-4-methylbenzenesulfonic acid Traditional Name: 2-[3-(2,3-dicarbomethoxyphenyl)propyl]-4-methyl-besylic acid Formula: C20H22O7S MolecularWeight: 406.44948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)CCCC2=CC=CC(=C2C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)CCCC2=CC=CC(=C2C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H22O7S/c1-13-10-11-17(28(23,24)25)15(12-13)8-4-6-14-7-5-9-16(19(21)26-2)18(14)20(22)27-3/h5,7,9-12H,4,6,8H2,1-3H3,(H,23,24,25)