5-[(2,4-diphosphonooxyphenyl)methylamino]naphthalene-1-sulfonic acid

Systemtic Name: 5-[(2,4-diphosphonooxyphenyl)methylamino]naphthalene-1-sulfonic acid Openeye Name: 5-[(2,4-diphosphonooxyphenyl)methylamino]naphthalene-1-sulfonic acid CAS Name: 5-[(2,4-diphosphonooxyphenyl)methylamino]-1-naphthalenesulfonic acid IUPAC Name: 5-[(2,4-diphosphonooxyphenyl)methylamino]naphthalene-1-sulfonic acid Traditional Name: 5-[(2,4-diphosphonooxybenzyl)amino]naphthalene-1-sulfonic acid Formula: C17H17NO11P2S MolecularWeight: 505.329502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NCC3=C(C=C(C=C3)OP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NCC3=C(C=C(C=C3)OP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C17H17NO11P2S/c19-30(20,21)28-12-8-7-11(16(9-12)29-31(22,23)24)10-18-15-5-1-4-14-13(15)3-2-6-17(14)32(25,26)27/h1-9,18H,10H2,(H2,19,20,21)(H2,22,23,24)(H,25,26,27)