4-[5-azanyl-2-[4-azanyl-2-(4-sulfobutoxy)phenyl]phenoxy]butane-1-sulfonic acid

Systemtic Name: 4-[5-azanyl-2-[4-azanyl-2-(4-sulfobutoxy)phenyl]phenoxy]butane-1-sulfonic acid Openeye Name: 4-[5-amino-2-[4-amino-2-(4-sulfobutoxy)phenyl]phenoxy]butane-1-sulfonic acid CAS Name: 4-[5-amino-2-[4-amino-2-(4-sulfobutoxy)phenyl]phenoxy]-1-butanesulfonic acid IUPAC Name: 4-[5-amino-2-[4-amino-2-(4-sulfobutoxy)phenyl]phenoxy]butane-1-sulfonic acid Traditional Name: 4-[5-amino-2-[4-amino-2-(4-sulfobutoxy)phenyl]phenoxy]butane-1-sulfonic acid Formula: C20H28N2O8S2 MolecularWeight: 488.57492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)OCCCCS(=O)(=O)O)C2=C(C=C(C=C2)N)OCCCCS(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N)OCCCCS(=O)(=O)O)C2=C(C=C(C=C2)N)OCCCCS(=O)(=O)O

InChI

InChI=1S/C20H28N2O8S2/c21-15-5-7-17(19(13-15)29-9-1-3-11-31(23,24)25)18-8-6-16(22)14-20(18)30-10-2-4-12-32(26,27)28/h5-8,13-14H,1-4,9-12,21-22H2,(H,23,24,25)(H,26,27,28)