5-azanyl-2-ethyl-benzenesulfonic acid; bicyclo[3.1.0]hexa-1(6),2,4-triene

Systemtic Name: 5-azanyl-2-ethyl-benzenesulfonic acid; bicyclo[3.1.0]hexa-1(6),2,4-triene Openeye Name: 5-amino-2-ethyl-benzenesulfonic acid; bicyclo[3.1.0]hexa-1(6),2,4-triene CAS Name: 5-amino-2-ethylbenzenesulfonic acid; bicyclo[3.1.0]hexa-1(6),2,4-triene IUPAC Name: 5-amino-2-ethylbenzenesulfonic acid; bicyclo[3.1.0]hexa-1(6),2,4-triene Traditional Name: 5-amino-2-ethyl-besylic acid; bicyclo[3.1.0]hexa-1(6),2,4-triene Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)N)S(=O)(=O)O.C1=CC2=CC2=C1

Isomeric SMILES

CCC1=C(C=C(C=C1)N)S(=O)(=O)O.C1=CC2=CC2=C1

InChI

InChI=1S/C8H11NO3S.C6H4/c1-2-6-3-4-7(9)5-8(6)13(10,11)12;1-2-5-4-6(5)3-1/h3-5H,2,9H2,1H3,(H,10,11,12);1-4H