3-[3-(2-methylprop-2-enoyloxy)-2-oxidanyl-propoxy]-2-sulfo-benzoic acid

Systemtic Name: 3-[3-(2-methylprop-2-enoyloxy)-2-oxidanyl-propoxy]-2-sulfo-benzoic acid Openeye Name: 3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-2-sulfo-benzoic acid CAS Name: 3-[2-hydroxy-3-(2-methyl-1-oxoprop-2-enoxy)propoxy]-2-sulfobenzoic acid IUPAC Name: 3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-2-sulfobenzoic acid Traditional Name: 3-(2-hydroxy-3-methacryloyloxy-propoxy)-2-sulfo-benzoic acid Formula: C14H16O9S MolecularWeight: 360.33644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OCC(COC1=CC=CC(=C1S(=O)(=O)O)C(=O)O)O

Isomeric SMILES

CC(=C)C(=O)OCC(COC1=CC=CC(=C1S(=O)(=O)O)C(=O)O)O

InChI

InChI=1S/C14H16O9S/c1-8(2)14(18)23-7-9(15)6-22-11-5-3-4-10(13(16)17)12(11)24(19,20)21/h3-5,9,15H,1,6-7H2,2H3,(H,16,17)(H,19,20,21)