2-heptoxycarbonylbenzenesulfonic acid

Systemtic Name: 2-heptoxycarbonylbenzenesulfonic acid Openeye Name: 2-heptoxycarbonylbenzenesulfonic acid CAS Name: 2-[heptoxy(oxo)methyl]benzenesulfonic acid IUPAC Name: 2-heptoxycarbonylbenzenesulfonic acid Traditional Name: 2-heptoxycarbonylbesylic acid Formula: C14H20O5S MolecularWeight: 300.3706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=CC=C1S(=O)(=O)O

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=CC=C1S(=O)(=O)O

InChI

InChI=1S/C14H20O5S/c1-2-3-4-5-8-11-19-14(15)12-9-6-7-10-13(12)20(16,17)18/h6-7,9-10H,2-5,8,11H2,1H3,(H,16,17,18)