3-azanyl-5-dodecoxy-benzenesulfonic acid

Systemtic Name: 3-azanyl-5-dodecoxy-benzenesulfonic acid Openeye Name: 3-amino-5-dodecoxy-benzenesulfonic acid CAS Name: 3-amino-5-dodecoxybenzenesulfonic acid IUPAC Name: 3-amino-5-dodecoxybenzenesulfonic acid Traditional Name: 3-amino-5-lauryloxy-besylic acid Formula: C18H31NO4S MolecularWeight: 357.50804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=CC(=C1)N)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=CC(=C1)N)S(=O)(=O)O

InChI

InChI=1S/C18H31NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-23-17-13-16(19)14-18(15-17)24(20,21)22/h13-15H,2-12,19H2,1H3,(H,20,21,22)