methyl 2-[(2-hex-1-ynylphenyl)-oxidanyl-methyl]prop-2-enoate

Systemtic Name: methyl 2-[(2-hex-1-ynylphenyl)-oxidanyl-methyl]prop-2-enoate Openeye Name: methyl 2-[(2-hex-1-ynylphenyl)-hydroxy-methyl]prop-2-enoate CAS Name: 2-[(2-hex-1-ynylphenyl)-hydroxymethyl]-2-propenoic acid methyl ester IUPAC Name: methyl 2-[(2-hex-1-ynylphenyl)-hydroxymethyl]prop-2-enoate Traditional Name: 2-[(2-hex-1-ynylphenyl)-hydroxy-methyl]acrylic acid methyl ester Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC=CC=C1C(C(=C)C(=O)OC)O

Isomeric SMILES

CCCCC#CC1=CC=CC=C1C(C(=C)C(=O)OC)O

InChI

InChI=1S/C17H20O3/c1-4-5-6-7-10-14-11-8-9-12-15(14)16(18)13(2)17(19)20-3/h8-9,11-12,16,18H,2,4-6H2,1,3H3