2-[1-(2-methylprop-2-enoyloxy)propan-2-yloxycarbonyl]-6-sulfo-benzoic acid

Systemtic Name: 2-[1-(2-methylprop-2-enoyloxy)propan-2-yloxycarbonyl]-6-sulfo-benzoic acid Openeye Name: 2-[1-methyl-2-(2-methylprop-2-enoyloxy)ethoxy]carbonyl-6-sulfo-benzoic acid CAS Name: 2-[1-(2-methyl-1-oxoprop-2-enoxy)propan-2-yloxy-oxomethyl]-6-sulfobenzoic acid IUPAC Name: 2-[1-(2-methylprop-2-enoyloxy)propan-2-yloxycarbonyl]-6-sulfobenzoic acid Traditional Name: 2-(2-methacryloyloxy-1-methyl-ethoxy)carbonyl-6-sulfo-benzoic acid Formula: C15H16O9S MolecularWeight: 372.34714

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C(=C)C)OC(=O)C1=C(C(=CC=C1)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CC(COC(=O)C(=C)C)OC(=O)C1=C(C(=CC=C1)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C15H16O9S/c1-8(2)14(18)23-7-9(3)24-15(19)10-5-4-6-11(25(20,21)22)12(10)13(16)17/h4-6,9H,1,7H2,2-3H3,(H,16,17)(H,20,21,22)