octyl 3-(5-octoxycarbonyl-2-oxidanyl-phenyl)sulfonyl-4-oxidanyl-benzoate

Systemtic Name: octyl 3-(5-octoxycarbonyl-2-oxidanyl-phenyl)sulfonyl-4-oxidanyl-benzoate Openeye Name: octyl 4-hydroxy-3-(2-hydroxy-5-octoxycarbonyl-phenyl)sulfonyl-benzoate CAS Name: 4-hydroxy-3-[2-hydroxy-5-[octoxy(oxo)methyl]phenyl]sulfonylbenzoic acid octyl ester IUPAC Name: octyl 4-hydroxy-3-(2-hydroxy-5-octoxycarbonylphenyl)sulfonylbenzoate Traditional Name: 4-hydroxy-3-(2-hydroxy-5-octoxycarbonyl-phenyl)sulfonyl-benzoic acid octyl ester Formula: C30H42O8S MolecularWeight: 562.71468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC(=C(C=C1)O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCCCCCC)O

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC(=C(C=C1)O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCCCCCC)O

InChI

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