3-azanyl-5-heptoxy-benzenesulfonic acid

Systemtic Name: 3-azanyl-5-heptoxy-benzenesulfonic acid Openeye Name: 3-amino-5-heptoxy-benzenesulfonic acid CAS Name: 3-amino-5-heptoxybenzenesulfonic acid IUPAC Name: 3-amino-5-heptoxybenzenesulfonic acid Traditional Name: 3-amino-5-heptoxy-besylic acid Formula: C13H21NO4S MolecularWeight: 287.37514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC(=CC(=C1)N)S(=O)(=O)O

Isomeric SMILES

CCCCCCCOC1=CC(=CC(=C1)N)S(=O)(=O)O

InChI

InChI=1S/C13H21NO4S/c1-2-3-4-5-6-7-18-12-8-11(14)9-13(10-12)19(15,16)17/h8-10H,2-7,14H2,1H3,(H,15,16,17)