4-(5-phenoxythiophen-2-yl)-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-(5-phenoxythiophen-2-yl)-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-(5-phenoxy-2-thienyl)-1-phosphono-butane-1-sulfonic acid CAS Name: 4-(5-phenoxy-2-thiophenyl)-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-(5-phenoxythiophen-2-yl)-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-(5-phenoxy-2-thienyl)-1-phosphono-butane-1-sulfonic acid Formula: C14H17O7PS2 MolecularWeight: 392.384341

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(S2)CCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(S2)CCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C14H17O7PS2/c15-22(16,17)14(24(18,19)20)8-4-7-12-9-10-13(23-12)21-11-5-2-1-3-6-11/h1-3,5-6,9-10,14H,4,7-8H2,(H2,15,16,17)(H,18,19,20)