heptyl 4-phosphonooxybenzoate

Systemtic Name: heptyl 4-phosphonooxybenzoate Openeye Name: heptyl 4-phosphonooxybenzoate CAS Name: 4-phosphonooxybenzoic acid heptyl ester IUPAC Name: heptyl 4-phosphonooxybenzoate Traditional Name: 4-phosphonooxybenzoic acid heptyl ester Formula: C14H21O6P MolecularWeight: 316.286701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=C(C=C1)OP(=O)(O)O

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=C(C=C1)OP(=O)(O)O

InChI

InChI=1S/C14H21O6P/c1-2-3-4-5-6-11-19-14(15)12-7-9-13(10-8-12)20-21(16,17)18/h7-10H,2-6,11H2,1H3,(H2,16,17,18)