4-[4-(1,3-benzoxazol-2-yl)phenyl]-1-phosphoroso-butane-1-sulfonic acid

Systemtic Name: 4-[4-(1,3-benzoxazol-2-yl)phenyl]-1-phosphoroso-butane-1-sulfonic acid Openeye Name: 4-[4-(1,3-benzoxazol-2-yl)phenyl]-1-phosphoroso-butane-1-sulfonic acid CAS Name: 4-[4-(1,3-benzoxazol-2-yl)phenyl]-1-phosphoroso-1-butanesulfonic acid IUPAC Name: 4-[4-(1,3-benzoxazol-2-yl)phenyl]-1-phosphorosobutane-1-sulfonic acid Traditional Name: 4-[4-(1,3-benzoxazol-2-yl)phenyl]-1-phosphoroso-butane-1-sulfonic acid Formula: C17H16NO5PS MolecularWeight: 377.351401

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)CCCC(P=O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)CCCC(P=O)S(=O)(=O)O

InChI

InChI=1S/C17H16NO5PS/c19-24-16(25(20,21)22)7-3-4-12-8-10-13(11-9-12)17-18-14-5-1-2-6-15(14)23-17/h1-2,5-6,8-11,16H,3-4,7H2,(H,20,21,22)