3-(5-carboxy-2-hexoxy-phenyl)sulfonyl-4-hexoxy-benzoic acid

Systemtic Name: 3-(5-carboxy-2-hexoxy-phenyl)sulfonyl-4-hexoxy-benzoic acid Openeye Name: 3-(5-carboxy-2-hexoxy-phenyl)sulfonyl-4-hexoxy-benzoic acid CAS Name: 3-(5-carboxy-2-hexoxyphenyl)sulfonyl-4-hexoxybenzoic acid IUPAC Name: 3-(5-carboxy-2-hexoxyphenyl)sulfonyl-4-hexoxybenzoic acid Traditional Name: 3-(5-carboxy-2-hexoxy-phenyl)sulfonyl-4-hexoxy-benzoic acid Formula: C26H34O8S MolecularWeight: 506.60836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OCCCCCC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OCCCCCC

InChI

InChI=1S/C26H34O8S/c1-3-5-7-9-15-33-21-13-11-19(25(27)28)17-23(21)35(31,32)24-18-20(26(29)30)12-14-22(24)34-16-10-8-6-4-2/h11-14,17-18H,3-10,15-16H2,1-2H3,(H,27,28)(H,29,30)