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3-heptoxy-4,5,6-trioctyl-benzene-1,2-diolate

3-heptoxy-4,5,6-trioctyl-benzene-1,2-diolate

Systemtic Name:3-heptoxy-4,5,6-trioctyl-benzene-1,2-diolate
Openeye Name:3-heptoxy-4,5,6-trioctyl-benzene-1,2-diolate
CAS Name:3-heptoxy-4,5,6-trioctylbenzene-1,2-diolate
IUPAC Name:3-heptoxy-4,5,6-trioctylbenzene-1,2-diolate
Traditional Name:3-heptoxy-4,5,6-trioctyl-benzene-1,2-diolate
Formula: C37H66O3-2
MolecularWeight: 558.91814
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C(=C1CCCCCCCC)OCCCCCCC)[O-])[O-])CCCCCCCC


Isomeric SMILES

CCCCCCCCC1=C(C(=C(C(=C1CCCCCCCC)OCCCCCCC)[O-])[O-])CCCCCCCC


InChI

InChI=1S/C37H68O3/c1-5-9-13-17-20-24-28-32-33(29-25-21-18-14-10-6-2)35(38)36(39)37(40-31-27-23-16-12-8-4)34(32)30-26-22-19-15-11-7-3/h38-39H,5-31H2,1-4H3/p-2


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