[3,4-bis(azanyl)phenyl] 4-butoxybenzenesulfonate

Systemtic Name: [3,4-bis(azanyl)phenyl] 4-butoxybenzenesulfonate Openeye Name: (3,4-diaminophenyl) 4-butoxybenzenesulfonate CAS Name: 4-butoxybenzenesulfonic acid (3,4-diaminophenyl) ester IUPAC Name: (3,4-diaminophenyl) 4-butoxybenzenesulfonate Traditional Name: 4-butoxybenzenesulfonic acid (3,4-diaminophenyl) ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)N)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)N)N

InChI

InChI=1S/C16H20N2O4S/c1-2-3-10-21-12-4-7-14(8-5-12)23(19,20)22-13-6-9-15(17)16(18)11-13/h4-9,11H,2-3,10,17-18H2,1H3