2-azanyl-4-heptoxy-benzenesulfonic acid

Systemtic Name: 2-azanyl-4-heptoxy-benzenesulfonic acid Openeye Name: 2-amino-4-heptoxy-benzenesulfonic acid CAS Name: 2-amino-4-heptoxybenzenesulfonic acid IUPAC Name: 2-amino-4-heptoxybenzenesulfonic acid Traditional Name: 2-amino-4-heptoxy-besylic acid Formula: C13H21NO4S MolecularWeight: 287.37514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO4S/c1-2-3-4-5-6-9-18-11-7-8-13(12(14)10-11)19(15,16)17/h7-8,10H,2-6,9,14H2,1H3,(H,15,16,17)