4-[2-azanyl-5-[4-azanyl-3-(4-sulfobutoxy)phenyl]phenoxy]butane-1-sulfonic acid

Systemtic Name: 4-[2-azanyl-5-[4-azanyl-3-(4-sulfobutoxy)phenyl]phenoxy]butane-1-sulfonic acid Openeye Name: 4-[2-amino-5-[4-amino-3-(4-sulfobutoxy)phenyl]phenoxy]butane-1-sulfonic acid CAS Name: 4-[2-amino-5-[4-amino-3-(4-sulfobutoxy)phenyl]phenoxy]-1-butanesulfonic acid IUPAC Name: 4-[2-amino-5-[4-amino-3-(4-sulfobutoxy)phenyl]phenoxy]butane-1-sulfonic acid Traditional Name: 4-[2-amino-5-[4-amino-3-(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=C1C2=CC(=C(C=C2)N)OCCCCS(=O)(=O)O)OCCCCS(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=C(C=C2)N)OCCCCS(=O)(=O)O)OCCCCS(=O)(=O)O)N

InChI

InChI=1S/C20H28N2O8S2/c21-17-7-5-15(13-19(17)29-9-1-3-11-31(23,24)25)16-6-8-18(22)20(14-16)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)