2-[(5-tert-butyl-1,2-oxazol-3-yl)diazenyl]-5-(dipropylamino)-4-methoxy-benzenesulfonic acid

Systemtic Name: 2-[(5-tert-butyl-1,2-oxazol-3-yl)diazenyl]-5-(dipropylamino)-4-methoxy-benzenesulfonic acid Openeye Name: 2-(5-tert-butylisoxazol-3-yl)azo-5-(dipropylamino)-4-methoxy-benzenesulfonic acid CAS Name: 2-[(5-tert-butyl-3-isoxazolyl)azo]-5-(dipropylamino)-4-methoxybenzenesulfonic acid IUPAC Name: 2-[(5-tert-butyl-1,2-oxazol-3-yl)diazenyl]-5-(dipropylamino)-4-methoxybenzenesulfonic acid Traditional Name: 2-(5-tert-butylisoxazol-3-yl)azo-5-(dipropylamino)-4-methoxy-besylic acid Formula: C20H30N4O5S MolecularWeight: 438.541

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=C(C=C(C(=C1)S(=O)(=O)O)N=NC2=NOC(=C2)C(C)(C)C)OC

Isomeric SMILES

CCCN(CCC)C1=C(C=C(C(=C1)S(=O)(=O)O)N=NC2=NOC(=C2)C(C)(C)C)OC

InChI

InChI=1S/C20H30N4O5S/c1-7-9-24(10-8-2)15-12-17(30(25,26)27)14(11-16(15)28-6)21-22-19-13-18(29-23-19)20(3,4)5/h11-13H,7-10H2,1-6H3,(H,25,26,27)