5-[1-methyl-7-(2-methylpropyl)azulen-4-yl]hexanoic acid

Systemtic Name: 5-[1-methyl-7-(2-methylpropyl)azulen-4-yl]hexanoic acid Openeye Name: 5-(7-isobutyl-1-methyl-azulen-4-yl)hexanoic acid CAS Name: 5-[1-methyl-7-(2-methylpropyl)-4-azulenyl]hexanoic acid IUPAC Name: 5-[1-methyl-7-(2-methylpropyl)azulen-4-yl]hexanoic acid Traditional Name: 5-(7-isobutyl-1-methyl-azulen-4-yl)hexanoic acid Formula: C21H28O2 MolecularWeight: 312.44582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=CC(=C2C=C1)C(C)CCCC(=O)O)CC(C)C

Isomeric SMILES

CC1=C2C=C(C=CC(=C2C=C1)C(C)CCCC(=O)O)CC(C)C

InChI

InChI=1S/C21H28O2/c1-14(2)12-17-9-11-18(15(3)6-5-7-21(22)23)19-10-8-16(4)20(19)13-17/h8-11,13-15H,5-7,12H2,1-4H3,(H,22,23)