2-(2-methylprop-2-enyl)-2-[(E)-1-phenylhex-1-en-5-yn-3-yl]indene-1,3-dione

Systemtic Name: 2-(2-methylprop-2-enyl)-2-[(E)-1-phenylhex-1-en-5-yn-3-yl]indene-1,3-dione Openeye Name: 2-(2-methylallyl)-2-[1-[(E)-styryl]but-3-ynyl]indane-1,3-dione CAS Name: 2-(2-methylprop-2-enyl)-2-[(E)-1-phenylhex-1-en-5-yn-3-yl]indene-1,3-dione IUPAC Name: 2-(2-methylprop-2-enyl)-2-[(E)-1-phenylhex-1-en-5-yn-3-yl]indene-1,3-dione Traditional Name: 2-(2-methylallyl)-2-[1-[(E)-styryl]but-3-ynyl]indane-1,3-quinone Formula: C25H22O2 MolecularWeight: 354.44098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC1(C(=O)C2=CC=CC=C2C1=O)C(CC#C)C=CC3=CC=CC=C3

Isomeric SMILES

CC(=C)CC1(C(=O)C2=CC=CC=C2C1=O)C(CC#C)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H22O2/c1-4-10-20(16-15-19-11-6-5-7-12-19)25(17-18(2)3)23(26)21-13-8-9-14-22(21)24(25)27/h1,5-9,11-16,20H,2,10,17H2,3H3/b16-15+