octan-2-yl 3-(5-octan-2-yloxycarbonyl-2-oxidanyl-phenyl)sulfonyl-4-oxidanyl-benzoate

Systemtic Name: octan-2-yl 3-(5-octan-2-yloxycarbonyl-2-oxidanyl-phenyl)sulfonyl-4-oxidanyl-benzoate Openeye Name: 1-methylheptyl 4-hydroxy-3-[2-hydroxy-5-(1-methylheptoxycarbonyl)phenyl]sulfonyl-benzoate CAS Name: 4-hydroxy-3-[2-hydroxy-5-[octan-2-yloxy(oxo)methyl]phenyl]sulfonylbenzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-hydroxy-3-(2-hydroxy-5-octan-2-yloxycarbonylphenyl)sulfonylbenzoate Traditional Name: 4-hydroxy-3-[2-hydroxy-5-(1-methylheptoxycarbonyl)phenyl]sulfonyl-benzoic acid 1-methylheptyl ester Formula: C30H42O8S MolecularWeight: 562.71468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CC(=C(C=C1)O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)CCCCCC)O

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CC(=C(C=C1)O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)CCCCCC)O

InChI

InChI=1S/C30H42O8S/c1-5-7-9-11-13-21(3)37-29(33)23-15-17-25(31)27(19-23)39(35,36)28-20-24(16-18-26(28)32)30(34)38-22(4)14-12-10-8-6-2/h15-22,31-32H,5-14H2,1-4H3