2-ethylhexyl 3-[5-(2-ethylhexoxycarbonyl)-2-oxidanyl-phenyl]sulfonyl-4-oxidanyl-benzoate

Systemtic Name: 2-ethylhexyl 3-[5-(2-ethylhexoxycarbonyl)-2-oxidanyl-phenyl]sulfonyl-4-oxidanyl-benzoate Openeye Name: 2-ethylhexyl 3-[5-(2-ethylhexoxycarbonyl)-2-hydroxy-phenyl]sulfonyl-4-hydroxy-benzoate CAS Name: 3-[5-[2-ethylhexoxy(oxo)methyl]-2-hydroxyphenyl]sulfonyl-4-hydroxybenzoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 3-[5-(2-ethylhexoxycarbonyl)-2-hydroxyphenyl]sulfonyl-4-hydroxybenzoate Traditional Name: 3-[5-(2-ethylhexoxycarbonyl)-2-hydroxy-phenyl]sulfonyl-4-hydroxy-benzoic acid 2-ethylhexyl ester Formula: C30H42O8S MolecularWeight: 562.71468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1=CC(=C(C=C1)O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(CC)CCCC)O

Isomeric SMILES

CCCCC(CC)COC(=O)C1=CC(=C(C=C1)O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(CC)CCCC)O

InChI

InChI=1S/C30H42O8S/c1-5-9-11-21(7-3)19-37-29(33)23-13-15-25(31)27(17-23)39(35,36)28-18-24(14-16-26(28)32)30(34)38-20-22(8-4)12-10-6-2/h13-18,21-22,31-32H,5-12,19-20H2,1-4H3