11-(3,5-disulfooxyphenyl)undecan-4-yl 2,4-bis(oxidanyl)-6-undecyl-benzoate

Systemtic Name: 11-(3,5-disulfooxyphenyl)undecan-4-yl 2,4-bis(oxidanyl)-6-undecyl-benzoate Openeye Name: [8-(3,5-disulfooxyphenyl)-1-propyl-octyl] 2,4-dihydroxy-6-undecyl-benzoate CAS Name: 2,4-dihydroxy-6-undecylbenzoic acid 11-(3,5-disulfooxyphenyl)undecan-4-yl ester IUPAC Name: 11-(3,5-disulfooxyphenyl)undecan-4-yl 2,4-dihydroxy-6-undecylbenzoate Traditional Name: 2,4-dihydroxy-6-undecyl-benzoic acid [8-(3,5-disulfoxyphenyl)-1-propyl-octyl] ester Formula: C35H54O12S2 MolecularWeight: 730.92606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC(=CC(=C1C(=O)OC(CCC)CCCCCCCC2=CC(=CC(=C2)OS(=O)(=O)O)OS(=O)(=O)O)O)O

Isomeric SMILES

CCCCCCCCCCCC1=CC(=CC(=C1C(=O)OC(CCC)CCCCCCCC2=CC(=CC(=C2)OS(=O)(=O)O)OS(=O)(=O)O)O)O

InChI

InChI=1S/C35H54O12S2/c1-3-5-6-7-8-9-10-13-16-20-28-24-29(36)25-33(37)34(28)35(38)45-30(18-4-2)21-17-14-11-12-15-19-27-22-31(46-48(39,40)41)26-32(23-27)47-49(42,43)44/h22-26,30,36-37H,3-21H2,1-2H3,(H,39,40,41)(H,42,43,44)