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3-heptoxy-4,5,6-tri(nonyl)benzene-1,2-diolate

3-heptoxy-4,5,6-tri(nonyl)benzene-1,2-diolate

Systemtic Name:3-heptoxy-4,5,6-tri(nonyl)benzene-1,2-diolate
Openeye Name:3-heptoxy-4,5,6-tri(nonyl)benzene-1,2-diolate
CAS Name:3-heptoxy-4,5,6-tri(nonyl)benzene-1,2-diolate
IUPAC Name:3-heptoxy-4,5,6-tri(nonyl)benzene-1,2-diolate
Traditional Name:3-heptoxy-4,5,6-tri(nonyl)benzene-1,2-diolate
Formula: C40H72O3-2
MolecularWeight: 600.99788
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C(=C1CCCCCCCCC)OCCCCCCC)[O-])[O-])CCCCCCCCC


Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C(=C1CCCCCCCCC)OCCCCCCC)[O-])[O-])CCCCCCCCC


InChI

InChI=1S/C40H74O3/c1-5-9-13-17-20-23-27-31-35-36(32-28-24-21-18-14-10-6-2)38(41)39(42)40(43-34-30-26-16-12-8-4)37(35)33-29-25-22-19-15-11-7-3/h41-42H,5-34H2,1-4H3/p-2


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