4-azanyl-2-chloranyl-5-(4-pentylphenoxy)benzenesulfonic acid

Systemtic Name: 4-azanyl-2-chloranyl-5-(4-pentylphenoxy)benzenesulfonic acid Openeye Name: 4-amino-2-chloro-5-(4-pentylphenoxy)benzenesulfonic acid CAS Name: 4-amino-2-chloro-5-(4-pentylphenoxy)benzenesulfonic acid IUPAC Name: 4-amino-2-chloro-5-(4-pentylphenoxy)benzenesulfonic acid Traditional Name: 4-amino-5-(4-amylphenoxy)-2-chloro-besylic acid Formula: C17H20ClNO4S MolecularWeight: 369.863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC2=CC(=C(C=C2N)Cl)S(=O)(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC2=CC(=C(C=C2N)Cl)S(=O)(=O)O

InChI

InChI=1S/C17H20ClNO4S/c1-2-3-4-5-12-6-8-13(9-7-12)23-16-11-17(24(20,21)22)14(18)10-15(16)19/h6-11H,2-5,19H2,1H3,(H,20,21,22)