but-1-en-3-yn-2-ylbenzene; (E)-3,5-dimethylhex-3-en-1-yne

Systemtic Name: but-1-en-3-yn-2-ylbenzene; (E)-3,5-dimethylhex-3-en-1-yne Openeye Name: (E)-3,5-dimethylhex-3-en-1-yne; 1-methyleneprop-2-ynylbenzene CAS Name: but-1-en-3-yn-2-ylbenzene; (E)-3,5-dimethylhex-3-en-1-yne IUPAC Name: but-1-en-3-yn-2-ylbenzene; (E)-3,5-dimethylhex-3-en-1-yne Traditional Name: (E)-3,5-dimethylhex-3-en-1-yne; 1-methyleneprop-2-ynylbenzene Formula: C18H20 MolecularWeight: 236.3514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=C(C)C#C.C=C(C#C)C1=CC=CC=C1

Isomeric SMILES

CC(C)/C=C(\C)/C#C.C=C(C#C)C1=CC=CC=C1

InChI

InChI=1S/C10H8.C8H12/c1-3-9(2)10-7-5-4-6-8-10;1-5-8(4)6-7(2)3/h1,4-8H,2H2;1,6-7H,2-4H3/b;8-6+