[4-[4-(2-methylphenyl)phenyl]-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[4-(2-methylphenyl)phenyl]-1-phosphono-butyl]phosphonic acid Openeye Name: [4-[4-(o-tolyl)phenyl]-1-phosphono-butyl]phosphonic acid CAS Name: [4-[4-(2-methylphenyl)phenyl]-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-[4-(2-methylphenyl)phenyl]-1-phosphonobutyl]phosphonic acid Traditional Name: [4-[4-(o-tolyl)phenyl]-1-phosphono-butyl]phosphonic acid Formula: C17H22O6P2 MolecularWeight: 384.300502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=C(C=C2)CCCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)CCCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C17H22O6P2/c1-13-5-2-3-7-16(13)15-11-9-14(10-12-15)6-4-8-17(24(18,19)20)25(21,22)23/h2-3,5,7,9-12,17H,4,6,8H2,1H3,(H2,18,19,20)(H2,21,22,23)