methyl 4-[(1E,3E)-4-(3,8-dimethyl-5-propan-2-yl-azulen-1-yl)buta-1,3-dienyl]benzoate

Systemtic Name: methyl 4-[(1E,3E)-4-(3,8-dimethyl-5-propan-2-yl-azulen-1-yl)buta-1,3-dienyl]benzoate Openeye Name: methyl 4-[(1E,3E)-4-(5-isopropyl-3,8-dimethyl-azulen-1-yl)buta-1,3-dienyl]benzoate CAS Name: 4-[(1E,3E)-4-(3,8-dimethyl-5-propan-2-yl-1-azulenyl)buta-1,3-dienyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1E,3E)-4-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)buta-1,3-dienyl]benzoate Traditional Name: 4-[(1E,3E)-4-(5-isopropyl-3,8-dimethyl-azulen-1-yl)buta-1,3-dienyl]benzoic acid methyl ester Formula: C27H28O2 MolecularWeight: 384.51002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)C=CC=CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)/C=C/C=C/C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C27H28O2/c1-18(2)23-13-10-19(3)26-24(16-20(4)25(26)17-23)9-7-6-8-21-11-14-22(15-12-21)27(28)29-5/h6-18H,1-5H3/b8-6+,9-7+