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2-methoxy-6-octyl-azulene-1,3-dicarboxylic acid

2-methoxy-6-octyl-azulene-1,3-dicarboxylic acid

Systemtic Name:2-methoxy-6-octyl-azulene-1,3-dicarboxylic acid
Openeye Name:2-methoxy-6-octyl-azulene-1,3-dicarboxylic acid
CAS Name:2-methoxy-6-octylazulene-1,3-dicarboxylic acid
IUPAC Name:2-methoxy-6-octylazulene-1,3-dicarboxylic acid
Traditional Name:2-methoxy-6-octyl-azulene-1,3-dicarboxylic acid
Formula: C21H26O5
MolecularWeight: 358.42814
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C2C(=C(C(=C2C(=O)O)OC)C(=O)O)C=C1


Isomeric SMILES

CCCCCCCCC1=CC=C2C(=C(C(=C2C(=O)O)OC)C(=O)O)C=C1


InChI

InChI=1S/C21H26O5/c1-3-4-5-6-7-8-9-14-10-12-15-16(13-11-14)18(21(24)25)19(26-2)17(15)20(22)23/h10-13H,3-9H2,1-2H3,(H,22,23)(H,24,25)


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