benzenesulfonic acid; 4-hexoxyaniline

Systemtic Name: benzenesulfonic acid; 4-hexoxyaniline Openeye Name: benzenesulfonic acid; 4-hexoxyaniline CAS Name: benzenesulfonic acid; 4-hexoxyaniline IUPAC Name: benzenesulfonic acid; 4-hexoxyaniline Traditional Name: besylic acid; (4-hexoxyphenyl)amine Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C12H19NO.C6H6O3S/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12;7-10(8,9)6-4-2-1-3-5-6/h6-9H,2-5,10,13H2,1H3;1-5H,(H,7,8,9)