4-[4-(3-methylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-[4-(3-methylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-[4-(3-methylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid CAS Name: 4-[4-(3-methylphenoxy)phenyl]-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-[4-(3-methylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-[4-(3-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=C1)OC2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

InChI

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