4-(4-phenylazanylphenyl)-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-(4-phenylazanylphenyl)-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-(4-anilinophenyl)-1-phosphono-butane-1-sulfonic acid CAS Name: 4-(4-anilinophenyl)-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-(4-anilinophenyl)-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-(4-anilinophenyl)-1-phosphono-butane-1-sulfonic acid Formula: C16H20NO6PS MolecularWeight: 385.371861

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C16H20NO6PS/c18-24(19,20)16(25(21,22)23)8-4-5-13-9-11-15(12-10-13)17-14-6-2-1-3-7-14/h1-3,6-7,9-12,16-17H,4-5,8H2,(H2,18,19,20)(H,21,22,23)