2-hexadecoxy-5-methanoyl-benzenesulfonic acid

Systemtic Name: 2-hexadecoxy-5-methanoyl-benzenesulfonic acid Openeye Name: 5-formyl-2-hexadecoxy-benzenesulfonic acid CAS Name: 5-formyl-2-hexadecoxybenzenesulfonic acid IUPAC Name: 5-formyl-2-hexadecoxybenzenesulfonic acid Traditional Name: 2-cetyloxy-5-formyl-besylic acid Formula: C23H38O5S MolecularWeight: 426.60982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-28-22-17-16-21(20-24)19-23(22)29(25,26)27/h16-17,19-20H,2-15,18H2,1H3,(H,25,26,27)