[(2E,4E)-5-(6-tert-butyl-4,8-dimethyl-azulen-1-yl)penta-2,4-dienyl] perchlorate

Systemtic Name: [(2E,4E)-5-(6-tert-butyl-4,8-dimethyl-azulen-1-yl)penta-2,4-dienyl] perchlorate Openeye Name: [(2E,4E)-5-(6-tert-butyl-4,8-dimethyl-azulen-1-yl)penta-2,4-dienyl] perchlorate CAS Name: perchloric acid [(2E,4E)-5-(6-tert-butyl-4,8-dimethyl-1-azulenyl)penta-2,4-dienyl] ester IUPAC Name: [(2E,4E)-5-(6-tert-butyl-4,8-dimethylazulen-1-yl)penta-2,4-dienyl] perchlorate Traditional Name: perchloric acid [(2E,4E)-5-(6-tert-butyl-4,8-dimethyl-azulen-1-yl)penta-2,4-dienyl] ester Formula: C21H25ClO4 MolecularWeight: 376.8738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C2C1=C(C=C2)C=CC=CCOCl(=O)(=O)=O)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C2C1=C(C=C2)/C=C/C=C/COCl(=O)(=O)=O)C)C(C)(C)C

InChI

InChI=1S/C21H25ClO4/c1-15-13-18(21(3,4)5)14-16(2)20-17(10-11-19(15)20)9-7-6-8-12-26-22(23,24)25/h6-11,13-14H,12H2,1-5H3/b8-6+,9-7+