2-(4-methoxyphenyl)sulfonyl-2-oct-2-ynyl-dec-4-ynoic acid

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-2-oct-2-ynyl-dec-4-ynoic acid Openeye Name: 2-(4-methoxyphenyl)sulfonyl-2-oct-2-ynyl-dec-4-ynoic acid CAS Name: 2-(4-methoxyphenyl)sulfonyl-2-oct-2-ynyl-4-decynoic acid IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-2-oct-2-ynyldec-4-ynoic acid Traditional Name: 2-(4-methoxyphenyl)sulfonyl-2-oct-2-ynyl-dec-4-ynoic acid Formula: C25H34O5S MolecularWeight: 446.59946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCC(CC#CCCCCC)(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)OC

Isomeric SMILES

CCCCCC#CCC(CC#CCCCCC)(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)OC

InChI

InChI=1S/C25H34O5S/c1-4-6-8-10-12-14-20-25(24(26)27,21-15-13-11-9-7-5-2)31(28,29)23-18-16-22(30-3)17-19-23/h16-19H,4-11,20-21H2,1-3H3,(H,26,27)