1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl 4-(4-oxidanylbut-2-ynylsulfonylmethyl)benzoate

Systemtic Name: 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl 4-(4-oxidanylbut-2-ynylsulfonylmethyl)benzoate Openeye Name: 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl 4-(4-hydroxybut-2-ynylsulfonylmethyl)benzoate CAS Name: 4-(4-hydroxybut-2-ynylsulfonylmethyl)benzoic acid 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl ester IUPAC Name: 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl 4-(4-hydroxybut-2-ynylsulfonylmethyl)benzoate Traditional Name: 4-(4-hydroxybut-2-ynylsulfonylmethyl)benzoic acid 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl ester Formula: C23H32O10S MolecularWeight: 500.55918

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCC(OCCOCCO1)COC(=O)C2=CC=C(C=C2)CS(=O)(=O)CC#CCO

Isomeric SMILES

C1COCCOCC(OCCOCCO1)COC(=O)C2=CC=C(C=C2)CS(=O)(=O)CC#CCO

InChI

InChI=1S/C23H32O10S/c24-7-1-2-16-34(26,27)19-20-3-5-21(6-4-20)23(25)33-18-22-17-31-13-12-29-9-8-28-10-11-30-14-15-32-22/h3-6,22,24H,7-19H2