6-(4-ethanoyl-3-oxidanyl-2-prop-2-enyl-phenoxy)-2-sulfonyl-hexanoic acid

Systemtic Name: 6-(4-ethanoyl-3-oxidanyl-2-prop-2-enyl-phenoxy)-2-sulfonyl-hexanoic acid Openeye Name: 6-(4-acetyl-2-allyl-3-hydroxy-phenoxy)-2-sulfonyl-hexanoic acid CAS Name: 6-(4-acetyl-3-hydroxy-2-prop-2-enylphenoxy)-2-sulfonylhexanoic acid IUPAC Name: 6-(4-acetyl-3-hydroxy-2-prop-2-enylphenoxy)-2-sulfonylhexanoic acid Traditional Name: 6-(4-acetyl-2-allyl-3-hydroxy-phenoxy)-2-sulfonyl-hexanoic acid Formula: C17H20O7S MolecularWeight: 368.4015

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(C=C1)OCCCCC(=S(=O)=O)C(=O)O)CC=C)O

Isomeric SMILES

CC(=O)C1=C(C(=C(C=C1)OCCCCC(=S(=O)=O)C(=O)O)CC=C)O

InChI

InChI=1S/C17H20O7S/c1-3-6-13-14(9-8-12(11(2)18)16(13)19)24-10-5-4-7-15(17(20)21)25(22)23/h3,8-9,19H,1,4-7,10H2,2H3,(H,20,21)