[10-oxidanyl-25-(3-oxidanyl-5-sulfooxy-phenyl)pentacosan-9-yl] ethanoate

Systemtic Name: [10-oxidanyl-25-(3-oxidanyl-5-sulfooxy-phenyl)pentacosan-9-yl] ethanoate Openeye Name: [2-hydroxy-17-(3-hydroxy-5-sulfooxy-phenyl)-1-octyl-heptadecyl] acetate CAS Name: acetic acid [10-hydroxy-25-(3-hydroxy-5-sulfooxyphenyl)pentacosan-9-yl] ester IUPAC Name: [10-hydroxy-25-(3-hydroxy-5-sulfooxyphenyl)pentacosan-9-yl] acetate Traditional Name: acetic acid [2-hydroxy-17-(3-hydroxy-5-sulfoxy-phenyl)-1-octyl-heptadecyl] ester Formula: C33H58O8S MolecularWeight: 614.87382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CCCCCCCCCCCCCCCC1=CC(=CC(=C1)OS(=O)(=O)O)O)O)OC(=O)C

Isomeric SMILES

CCCCCCCCC(C(CCCCCCCCCCCCCCCC1=CC(=CC(=C1)OS(=O)(=O)O)O)O)OC(=O)C

InChI

InChI=1S/C33H58O8S/c1-3-4-5-6-18-21-24-33(40-28(2)34)32(36)23-20-17-15-13-11-9-7-8-10-12-14-16-19-22-29-25-30(35)27-31(26-29)41-42(37,38)39/h25-27,32-33,35-36H,3-24H2,1-2H3,(H,37,38,39)