3-decanoyl-2-dodecanoyl-4-nonanoyl-5-octanoyl-6-oxidanyl-benzenesulfonate

Systemtic Name: 3-decanoyl-2-dodecanoyl-4-nonanoyl-5-octanoyl-6-oxidanyl-benzenesulfonate Openeye Name: 3-decanoyl-2-dodecanoyl-6-hydroxy-4-nonanoyl-5-octanoyl-benzenesulfonate CAS Name: 2-hydroxy-5-(1-oxodecyl)-6-(1-oxododecyl)-4-(1-oxononyl)-3-(1-oxooctyl)benzenesulfonate IUPAC Name: 3-decanoyl-2-dodecanoyl-6-hydroxy-4-nonanoyl-5-octanoylbenzenesulfonate Traditional Name: 5-capryl-3-caprylyl-2-hydroxy-6-lauroyl-4-pelargonyl-besylate Formula: C45H75O8S- MolecularWeight: 776.1372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(C(=C(C(=C1C(=O)CCCCCCCCC)C(=O)CCCCCCCC)C(=O)CCCCCCC)O)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(C(=C(C(=C1C(=O)CCCCCCCCC)C(=O)CCCCCCCC)C(=O)CCCCCCC)O)S(=O)(=O)[O-]

InChI

InChI=1S/C45H76O8S/c1-5-9-13-17-20-21-23-27-31-35-39(49)43-41(37(47)33-30-26-22-18-14-10-6-2)40(36(46)32-29-25-19-15-11-7-3)42(44(50)45(43)54(51,52)53)38(48)34-28-24-16-12-8-4/h50H,5-35H2,1-4H3,(H,51,52,53)/p-1