4-[4-(2-methylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-[4-(2-methylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-[4-(2-methylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid CAS Name: 4-[4-(2-methylphenoxy)phenyl]-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-[4-(2-methylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-[4-(2-methylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid Formula: C17H21O7PS MolecularWeight: 400.383201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC=CC=C1OC2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C17H21O7PS/c1-13-5-2-3-7-16(13)24-15-11-9-14(10-12-15)6-4-8-17(25(18,19)20)26(21,22)23/h2-3,5,7,9-12,17H,4,6,8H2,1H3,(H2,18,19,20)(H,21,22,23)