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

Systemtic Name: 3,4,5-trihexyl-6-pentoxy-benzene-1,2-diolate Openeye Name: 3,4,5-trihexyl-6-pentoxy-benzene-1,2-diolate CAS Name: 3,4,5-trihexyl-6-pentoxybenzene-1,2-diolate IUPAC Name: 3,4,5-trihexyl-6-pentoxybenzene-1,2-diolate Traditional Name: 3-amoxy-4,5,6-trihexyl-benzene-1,2-diolate Formula: C29H50O3-2 MolecularWeight: 446.7055

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C(=C1CCCCCC)OCCCCC)[O-])[O-])CCCCCC

Isomeric SMILES

CCCCCCC1=C(C(=C(C(=C1CCCCCC)OCCCCC)[O-])[O-])CCCCCC

InChI

InChI=1S/C29H52O3/c1-5-9-13-16-20-24-25(21-17-14-10-6-2)27(30)28(31)29(32-23-19-12-8-4)26(24)22-18-15-11-7-3/h30-31H,5-23H2,1-4H3/p-2