2-methoxy-2-oct-2-ynyl-3-(phenylsulfonyl)dec-4-ynoic acid

Systemtic Name: 2-methoxy-2-oct-2-ynyl-3-(phenylsulfonyl)dec-4-ynoic acid Openeye Name: 3-(benzenesulfonyl)-2-methoxy-2-oct-2-ynyl-dec-4-ynoic acid CAS Name: 3-(benzenesulfonyl)-2-methoxy-2-oct-2-ynyl-4-decynoic acid IUPAC Name: 3-(benzenesulfonyl)-2-methoxy-2-oct-2-ynyldec-4-ynoic acid Traditional Name: 3-besyl-2-methoxy-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(C(C#CCCCCC)S(=O)(=O)C1=CC=CC=C1)(C(=O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H34O5S/c1-4-6-8-10-12-17-21-25(30-3,24(26)27)23(20-16-11-9-7-5-2)31(28,29)22-18-14-13-15-19-22/h13-15,18-19,23H,4-11,21H2,1-3H3,(H,26,27)