4-[3,6-bis(azanyl)-2-butyl-phenyl]butane-1-sulfonic acid

Systemtic Name: 4-[3,6-bis(azanyl)-2-butyl-phenyl]butane-1-sulfonic acid Openeye Name: 4-(3,6-diamino-2-butyl-phenyl)butane-1-sulfonic acid CAS Name: 4-(3,6-diamino-2-butylphenyl)-1-butanesulfonic acid IUPAC Name: 4-(3,6-diamino-2-butylphenyl)butane-1-sulfonic acid Traditional Name: 4-(3,6-diamino-2-butyl-phenyl)butane-1-sulfonic acid Formula: C14H24N2O3S MolecularWeight: 300.41696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1CCCCS(=O)(=O)O)N)N

Isomeric SMILES

CCCCC1=C(C=CC(=C1CCCCS(=O)(=O)O)N)N

InChI

InChI=1S/C14H24N2O3S/c1-2-3-6-11-12(14(16)9-8-13(11)15)7-4-5-10-20(17,18)19/h8-9H,2-7,10,15-16H2,1H3,(H,17,18,19)