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2-(3-methylnon-1-yn-3-yloxycarbonyl)benzoic acid

2-(3-methylnon-1-yn-3-yloxycarbonyl)benzoic acid

Systemtic Name:2-(3-methylnon-1-yn-3-yloxycarbonyl)benzoic acid
Openeye Name:2-(1-ethynyl-1-methyl-heptoxy)carbonylbenzoic acid
CAS Name:2-[3-methylnon-1-yn-3-yloxy(oxo)methyl]benzoic acid
IUPAC Name:2-(3-methylnon-1-yn-3-yloxycarbonyl)benzoic acid
Traditional Name:2-(1-hexyl-1-methyl-prop-2-ynoxy)carbonylbenzoic acid
Formula: C18H22O4
MolecularWeight: 302.36488
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C#C)OC(=O)C1=CC=CC=C1C(=O)O


Isomeric SMILES

CCCCCCC(C)(C#C)OC(=O)C1=CC=CC=C1C(=O)O


InChI

InChI=1S/C18H22O4/c1-4-6-7-10-13-18(3,5-2)22-17(21)15-12-9-8-11-14(15)16(19)20/h2,8-9,11-12H,4,6-7,10,13H2,1,3H3,(H,19,20)


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