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

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

Systemtic Name:2-[(1-methyl-7-propan-2-yl-azulen-4-yl)methyl]hexanoic acid
Openeye Name:2-[(7-isopropyl-1-methyl-azulen-4-yl)methyl]hexanoic acid
CAS Name:2-[(1-methyl-7-propan-2-yl-4-azulenyl)methyl]hexanoic acid
IUPAC Name:2-[(1-methyl-7-propan-2-ylazulen-4-yl)methyl]hexanoic acid
Traditional Name:2-[(7-isopropyl-1-methyl-azulen-4-yl)methyl]hexanoic acid
Formula: C21H28O2
MolecularWeight: 312.44582
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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