2-[(1E,3Z)-4-methylhexa-1,3-dien-5-ynyl]-6-propan-2-yl-azulene-1-carbaldehyde

Systemtic Name: 2-[(1E,3Z)-4-methylhexa-1,3-dien-5-ynyl]-6-propan-2-yl-azulene-1-carbaldehyde Openeye Name: 6-isopropyl-2-[(1E,3Z)-4-methylhexa-1,3-dien-5-ynyl]azulene-1-carbaldehyde CAS Name: 2-[(1E,3Z)-4-methylhexa-1,3-dien-5-ynyl]-6-propan-2-yl-1-azulenecarboxaldehyde IUPAC Name: 2-[(1E,3Z)-4-methylhexa-1,3-dien-5-ynyl]-6-propan-2-ylazulene-1-carbaldehyde Traditional Name: 6-isopropyl-2-[(1E,3Z)-4-methylhexa-1,3-dien-5-ynyl]azulene-1-carbaldehyde Formula: C21H20O MolecularWeight: 288.3829

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=CC(=C2C=O)C=CC=C(C)C#C)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=CC(=C2C=O)/C=C/C=C(/C)\C#C)C=C1

InChI

InChI=1S/C21H20O/c1-5-16(4)7-6-8-18-13-19-10-9-17(15(2)3)11-12-20(19)21(18)14-22/h1,6-15H,2-4H3/b8-6+,16-7-