(E)-3-[6-hept-1-ynyl-2,3-bis(oxidanyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[6-hept-1-ynyl-2,3-bis(oxidanyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-(6-hept-1-ynyl-2,3-dihydroxy-phenyl)prop-2-enoic acid CAS Name: (E)-3-(6-hept-1-ynyl-2,3-dihydroxyphenyl)-2-propenoic acid IUPAC Name: (E)-3-(6-hept-1-ynyl-2,3-dihydroxyphenyl)prop-2-enoic acid Traditional Name: (E)-3-(6-hept-1-ynyl-2,3-dihydroxy-phenyl)acrylic acid Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1=C(C(=C(C=C1)O)O)C=CC(=O)O

Isomeric SMILES

CCCCCC#CC1=C(C(=C(C=C1)O)O)/C=C/C(=O)O

InChI

InChI=1S/C16H18O4/c1-2-3-4-5-6-7-12-8-10-14(17)16(20)13(12)9-11-15(18)19/h8-11,17,20H,2-5H2,1H3,(H,18,19)/b11-9+