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2-methylheptyl 6-octoxynaphthalene-2-carboxylate

2-methylheptyl 6-octoxynaphthalene-2-carboxylate

Systemtic Name:2-methylheptyl 6-octoxynaphthalene-2-carboxylate
Openeye Name:2-methylheptyl 6-octoxynaphthalene-2-carboxylate
CAS Name:6-octoxy-2-naphthalenecarboxylic acid 2-methylheptyl ester
IUPAC Name:2-methylheptyl 6-octoxynaphthalene-2-carboxylate
Traditional Name:6-octoxynaphthalene-2-carboxylic acid 2-methylheptyl ester
Formula: C27H40O3
MolecularWeight: 412.6047
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1)C=C(C=C2)C(=O)OCC(C)CCCCC


Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1)C=C(C=C2)C(=O)OCC(C)CCCCC


InChI

InChI=1S/C27H40O3/c1-4-6-8-9-10-12-18-29-26-17-16-23-19-25(15-14-24(23)20-26)27(28)30-21-22(3)13-11-7-5-2/h14-17,19-20,22H,4-13,18,21H2,1-3H3


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