5-chloranylsulfonyl-2-hexadecoxy-benzoic acid

Systemtic Name: 5-chloranylsulfonyl-2-hexadecoxy-benzoic acid Openeye Name: 5-chlorosulfonyl-2-hexadecoxy-benzoic acid CAS Name: 5-chlorosulfonyl-2-hexadecoxybenzoic acid IUPAC Name: 5-chlorosulfonyl-2-hexadecoxybenzoic acid Traditional Name: 2-cetyloxy-5-chlorosulfonyl-benzoic acid Formula: C23H37ClO5S MolecularWeight: 461.05488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)Cl)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)Cl)C(=O)O

InChI

InChI=1S/C23H37ClO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29-22-17-16-20(30(24,27)28)19-21(22)23(25)26/h16-17,19H,2-15,18H2,1H3,(H,25,26)