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

Systemtic Name: 1-[2-azanyl-5-[4-azanyl-3-(1-sulfobutoxy)phenyl]phenoxy]butane-1-sulfonic acid Openeye Name: 1-[2-amino-5-[4-amino-3-(1-sulfobutoxy)phenyl]phenoxy]butane-1-sulfonic acid CAS Name: 1-[2-amino-5-[4-amino-3-(1-sulfobutoxy)phenyl]phenoxy]-1-butanesulfonic acid IUPAC Name: 1-[2-amino-5-[4-amino-3-(1-sulfobutoxy)phenyl]phenoxy]butane-1-sulfonic acid Traditional Name: 1-[2-amino-5-[4-amino-3-(1-sulfobutoxy)phenyl]phenoxy]butane-1-sulfonic acid Formula: C20H28N2O8S2 MolecularWeight: 488.57492

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(OC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC(CCC)S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

CCCC(OC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC(CCC)S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C20H28N2O8S2/c1-3-5-19(31(23,24)25)29-17-11-13(7-9-15(17)21)14-8-10-16(22)18(12-14)30-20(6-4-2)32(26,27)28/h7-12,19-20H,3-6,21-22H2,1-2H3,(H,23,24,25)(H,26,27,28)