6-ethynyl-4,4,7-trimethyl-3H-naphthalene-1-carboxylic acid

Systemtic Name: 6-ethynyl-4,4,7-trimethyl-3H-naphthalene-1-carboxylic acid Openeye Name: 6-ethynyl-4,4,7-trimethyl-3H-naphthalene-1-carboxylic acid CAS Name: 6-ethynyl-4,4,7-trimethyl-3H-naphthalene-1-carboxylic acid IUPAC Name: 6-ethynyl-4,4,7-trimethyl-3H-naphthalene-1-carboxylic acid Traditional Name: 6-ethynyl-4,4,7-trimethyl-3H-naphthalene-1-carboxylic acid Formula: C16H16O2 MolecularWeight: 240.29704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C#C)C(CC=C2C(=O)O)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C#C)C(CC=C2C(=O)O)(C)C

InChI

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