3-(dihexylamino)benzenesulfonic acid

Systemtic Name: 3-(dihexylamino)benzenesulfonic acid Openeye Name: 3-(dihexylamino)benzenesulfonic acid CAS Name: 3-(dihexylamino)benzenesulfonic acid IUPAC Name: 3-(dihexylamino)benzenesulfonic acid Traditional Name: 3-(dihexylamino)besylic acid Formula: C18H31NO3S MolecularWeight: 341.50864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C1=CC(=CC=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCN(CCCCCC)C1=CC(=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C18H31NO3S/c1-3-5-7-9-14-19(15-10-8-6-4-2)17-12-11-13-18(16-17)23(20,21)22/h11-13,16H,3-10,14-15H2,1-2H3,(H,20,21,22)