6-ethynyl-2,4,4-trimethyl-3H-naphthalene-1-carboxylic acid

Systemtic Name: 6-ethynyl-2,4,4-trimethyl-3H-naphthalene-1-carboxylic acid Openeye Name: 6-ethynyl-2,4,4-trimethyl-3H-naphthalene-1-carboxylic acid CAS Name: 6-ethynyl-2,4,4-trimethyl-3H-naphthalene-1-carboxylic acid IUPAC Name: 6-ethynyl-2,4,4-trimethyl-3H-naphthalene-1-carboxylic acid Traditional Name: 6-ethynyl-2,4,4-trimethyl-3H-naphthalene-1-carboxylic acid Formula: C16H16O2 MolecularWeight: 240.29704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C(C=C2)C#C)C(C1)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C(C=C2)C#C)C(C1)(C)C)C(=O)O

InChI

InChI=1S/C16H16O2/c1-5-11-6-7-12-13(8-11)16(3,4)9-10(2)14(12)15(17)18/h1,6-8H,9H2,2-4H3,(H,17,18)