heptyl 2-methoxybenzenesulfonate

Systemtic Name: heptyl 2-methoxybenzenesulfonate Openeye Name: heptyl 2-methoxybenzenesulfonate CAS Name: 2-methoxybenzenesulfonic acid heptyl ester IUPAC Name: heptyl 2-methoxybenzenesulfonate Traditional Name: 2-methoxybenzenesulfonic acid heptyl ester Formula: C14H22O4S MolecularWeight: 286.38708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOS(=O)(=O)C1=CC=CC=C1OC

Isomeric SMILES

CCCCCCCOS(=O)(=O)C1=CC=CC=C1OC

InChI

InChI=1S/C14H22O4S/c1-3-4-5-6-9-12-18-19(15,16)14-11-8-7-10-13(14)17-2/h7-8,10-11H,3-6,9,12H2,1-2H3