1-but-1-ynyl-3-methyl-naphthalene; ethanoic acid

Systemtic Name: 1-but-1-ynyl-3-methyl-naphthalene; ethanoic acid Openeye Name: acetic acid; 1-but-1-ynyl-3-methyl-naphthalene CAS Name: acetic acid; 1-but-1-ynyl-3-methylnaphthalene IUPAC Name: acetic acid; 1-but-1-ynyl-3-methylnaphthalene Traditional Name: acetic acid; 1-but-1-ynyl-3-methyl-naphthalene Formula: C17H18O2 MolecularWeight: 254.32362

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1=CC(=CC2=CC=CC=C21)C.CC(=O)O

Isomeric SMILES

CCC#CC1=CC(=CC2=CC=CC=C21)C.CC(=O)O

InChI

InChI=1S/C15H14.C2H4O2/c1-3-4-7-13-10-12(2)11-14-8-5-6-9-15(13)14;1-2(3)4/h5-6,8-11H,3H2,1-2H3;1H3,(H,3,4)