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6-naphthalen-2-yl-6-propyl-hexadecanedioic acid

6-naphthalen-2-yl-6-propyl-hexadecanedioic acid

Systemtic Name:6-naphthalen-2-yl-6-propyl-hexadecanedioic acid
Openeye Name:6-(2-naphthyl)-6-propyl-hexadecanedioic acid
CAS Name:6-(2-naphthalenyl)-6-propylhexadecanedioic acid
IUPAC Name:6-naphthalen-2-yl-6-propylhexadecanedioic acid
Traditional Name:6-(2-naphthyl)-6-propyl-thapsic acid
Formula: C29H42O4
MolecularWeight: 454.64138
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCCCCCCCC(=O)O)(CCCCC(=O)O)C1=CC2=CC=CC=C2C=C1


Isomeric SMILES

CCCC(CCCCCCCCCC(=O)O)(CCCCC(=O)O)C1=CC2=CC=CC=C2C=C1


InChI

InChI=1S/C29H42O4/c1-2-20-29(22-13-11-17-28(32)33,21-12-7-5-3-4-6-8-16-27(30)31)26-19-18-24-14-9-10-15-25(24)23-26/h9-10,14-15,18-19,23H,2-8,11-13,16-17,20-22H2,1H3,(H,30,31)(H,32,33)


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