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

Systemtic Name: 3,4,5-trioctyl-6-pentoxy-benzene-1,2-diolate Openeye Name: 3,4,5-trioctyl-6-pentoxy-benzene-1,2-diolate CAS Name: 3,4,5-trioctyl-6-pentoxybenzene-1,2-diolate IUPAC Name: 3,4,5-trioctyl-6-pentoxybenzene-1,2-diolate Traditional Name: 3-amoxy-4,5,6-trioctyl-benzene-1,2-diolate Formula: C35H62O3-2 MolecularWeight: 530.86498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H64O3/c1-5-9-13-16-19-22-26-30-31(27-23-20-17-14-10-6-2)33(36)34(37)35(38-29-25-12-8-4)32(30)28-24-21-18-15-11-7-3/h36-37H,5-29H2,1-4H3/p-2