[1-(3,5-disulfooxyphenyl)-25-oxidanyl-pentacosyl] ethanoate

Systemtic Name: [1-(3,5-disulfooxyphenyl)-25-oxidanyl-pentacosyl] ethanoate Openeye Name: [1-(3,5-disulfooxyphenyl)-25-hydroxy-pentacosyl] acetate CAS Name: acetic acid [1-(3,5-disulfooxyphenyl)-25-hydroxypentacosyl] ester IUPAC Name: [1-(3,5-disulfooxyphenyl)-25-hydroxypentacosyl] acetate Traditional Name: acetic acid [1-(3,5-disulfoxyphenyl)-25-hydroxy-pentacosyl] ester Formula: C33H58O11S2 MolecularWeight: 694.93702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCCCCCCCCCCCCCCCCCCCCCCO)C1=CC(=CC(=C1)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CC(=O)OC(CCCCCCCCCCCCCCCCCCCCCCCCO)C1=CC(=CC(=C1)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C33H58O11S2/c1-29(35)42-33(30-26-31(43-45(36,37)38)28-32(27-30)44-46(39,40)41)24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-34/h26-28,33-34H,2-25H2,1H3,(H,36,37,38)(H,39,40,41)