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3-iodyl-5-[(E)-octadec-7-enyl]naphthalene-2-carboxylic acid

3-iodyl-5-[(E)-octadec-7-enyl]naphthalene-2-carboxylic acid

Systemtic Name:3-iodyl-5-[(E)-octadec-7-enyl]naphthalene-2-carboxylic acid
Openeye Name:3-iodyl-5-[(E)-octadec-7-enyl]naphthalene-2-carboxylic acid
CAS Name:3-iodyl-5-[(E)-octadec-7-enyl]-2-naphthalenecarboxylic acid
IUPAC Name:3-iodyl-5-[(E)-octadec-7-enyl]naphthalene-2-carboxylic acid
Traditional Name:3-iodyl-5-[(E)-octadec-7-enyl]-2-naphthoic acid
Formula: C29H41IO4
MolecularWeight: 580.53791
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CCCCCCCC1=CC=CC2=CC(=C(C=C21)I(=O)=O)C(=O)O


Isomeric SMILES

CCCCCCCCCC/C=C/CCCCCCC1=CC=CC2=CC(=C(C=C21)I(=O)=O)C(=O)O


InChI

InChI=1S/C29H41IO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-20-18-21-25-22-27(29(31)32)28(30(33)34)23-26(24)25/h11-12,18,20-23H,2-10,13-17,19H2,1H3,(H,31,32)/b12-11+


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