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

Systemtic Name: 3,4,5-tri(nonyl)-6-pentoxy-benzene-1,2-diolate Openeye Name: 3,4,5-tri(nonyl)-6-pentoxy-benzene-1,2-diolate CAS Name: 3,4,5-tri(nonyl)-6-pentoxybenzene-1,2-diolate IUPAC Name: 3,4,5-tri(nonyl)-6-pentoxybenzene-1,2-diolate Traditional Name: 3-amoxy-4,5,6-tri(nonyl)benzene-1,2-diolate Formula: C38H68O3-2 MolecularWeight: 572.94472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H70O3/c1-5-9-13-16-19-22-25-29-33-34(30-26-23-20-17-14-10-6-2)36(39)37(40)38(41-32-28-12-8-4)35(33)31-27-24-21-18-15-11-7-3/h39-40H,5-32H2,1-4H3/p-2