5-(2-ethylhexoxycarbonyl)benzene-1,3-disulfonic acid

Systemtic Name: 5-(2-ethylhexoxycarbonyl)benzene-1,3-disulfonic acid Openeye Name: 5-(2-ethylhexoxycarbonyl)benzene-1,3-disulfonic acid CAS Name: 5-[2-ethylhexoxy(oxo)methyl]benzene-1,3-disulfonic acid IUPAC Name: 5-(2-ethylhexoxycarbonyl)benzene-1,3-disulfonic acid Traditional Name: 5-(2-ethylhexoxycarbonyl)benzene-1,3-disulfonic acid Formula: C15H22O8S2 MolecularWeight: 394.46038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCC(CC)COC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H22O8S2/c1-3-5-6-11(4-2)10-23-15(16)12-7-13(24(17,18)19)9-14(8-12)25(20,21)22/h7-9,11H,3-6,10H2,1-2H3,(H,17,18,19)(H,20,21,22)