3-chloranylsulfonyl-4-hexadecoxy-benzoic acid

Systemtic Name: 3-chloranylsulfonyl-4-hexadecoxy-benzoic acid Openeye Name: 3-chlorosulfonyl-4-hexadecoxy-benzoic acid CAS Name: 3-chlorosulfonyl-4-hexadecoxybenzoic acid IUPAC Name: 3-chlorosulfonyl-4-hexadecoxybenzoic acid Traditional Name: 4-cetyloxy-3-chlorosulfonyl-benzoic acid Formula: C23H37ClO5S MolecularWeight: 461.05488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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