(E)-3-[3-(3-methylbut-2-enyl)-4-sulfooxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-(3-methylbut-2-enyl)-4-sulfooxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(3-methylbut-2-enyl)-4-sulfooxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-(3-methylbut-2-enyl)-4-sulfooxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(3-methylbut-2-enyl)-4-sulfooxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(3-methylbut-2-enyl)-4-sulfoxy-phenyl]acrylic acid Formula: C14H16O6S MolecularWeight: 312.33824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=C(C=CC(=C1)C=CC(=O)O)OS(=O)(=O)O)C

Isomeric SMILES

CC(=CCC1=C(C=CC(=C1)/C=C/C(=O)O)OS(=O)(=O)O)C

InChI

InChI=1S/C14H16O6S/c1-10(2)3-6-12-9-11(5-8-14(15)16)4-7-13(12)20-21(17,18)19/h3-5,7-9H,6H2,1-2H3,(H,15,16)(H,17,18,19)/b8-5+