4-[2-azanyl-3-(4-sulfobutoxy)phenoxy]butane-1-sulfonic acid

Systemtic Name: 4-[2-azanyl-3-(4-sulfobutoxy)phenoxy]butane-1-sulfonic acid Openeye Name: 4-[2-amino-3-(4-sulfobutoxy)phenoxy]butane-1-sulfonic acid CAS Name: 4-[2-amino-3-(4-sulfobutoxy)phenoxy]-1-butanesulfonic acid IUPAC Name: 4-[2-amino-3-(4-sulfobutoxy)phenoxy]butane-1-sulfonic acid Traditional Name: 4-[2-amino-3-(4-sulfobutoxy)phenoxy]butane-1-sulfonic acid Formula: C14H23NO8S2 MolecularWeight: 397.46432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)OCCCCS(=O)(=O)O)N)OCCCCS(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)OCCCCS(=O)(=O)O)N)OCCCCS(=O)(=O)O

InChI

InChI=1S/C14H23NO8S2/c15-14-12(22-8-1-3-10-24(16,17)18)6-5-7-13(14)23-9-2-4-11-25(19,20)21/h5-7H,1-4,8-11,15H2,(H,16,17,18)(H,19,20,21)