3-(3,8-dimethyl-5-propan-2-yl-azulen-1-yl)propanoic acid

Systemtic Name: 3-(3,8-dimethyl-5-propan-2-yl-azulen-1-yl)propanoic acid Openeye Name: 3-(5-isopropyl-3,8-dimethyl-azulen-1-yl)propanoic acid CAS Name: 3-(3,8-dimethyl-5-propan-2-yl-1-azulenyl)propanoic acid IUPAC Name: 3-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)propanoic acid Traditional Name: 3-(5-isopropyl-3,8-dimethyl-azulen-1-yl)propionic acid Formula: C18H22O2 MolecularWeight: 270.36608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O2/c1-11(2)14-6-5-12(3)18-15(7-8-17(19)20)9-13(4)16(18)10-14/h5-6,9-11H,7-8H2,1-4H3,(H,19,20)