(±)-(4-hydroxyphenyl)(phenylacetamido)acetic acid
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Product Description
Product
(±)-(4-hydroxyphenyl)(phenylacetamido)acetic acid
CAS
54713-12-1
Formula
C16H15NO4
Typical Product Specifications
EINECS
259-300-7
SMILES
c1ccc(cc1)CC(c2ccc(cc2)O)(/N=C/C(=O)O)O
InChI
KOMLOUCGLDICJC-GZTJUZNOSA-N
InChIKey
1S/C16H15NO4/c18-14-8-6-13(7-9-14)16(21,17-11-15(19)20)10-12-4-2-1-3-5-12/h1-9,11,18,21H,10H2,(H,19,20)/b17-11+
Molecular weight
734.04
EINECS
220-530-8
SMILES
C([C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCC)=O)OP(OCC[N+](C)(C)C)(=O)[O-]
InChI
KILNVBDSWZSGLL-UHFFFAOYSA-N
InChIKey
1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3
Class
(±)-(4-hydroxyphenyl)(phenylacetamido)acetic acid
Product Description
Product
(±)-(4-hydroxyphenyl)(phenylacetamido)acetic acid
CAS
54713-12-1
Formula
C16H15NO4
Typical Product Specifications
EINECS
259-300-7
SMILES
c1ccc(cc1)CC(c2ccc(cc2)O)(/N=C/C(=O)O)O
InChI
KOMLOUCGLDICJC-GZTJUZNOSA-N
InChIKey
1S/C16H15NO4/c18-14-8-6-13(7-9-14)16(21,17-11-15(19)20)10-12-4-2-1-3-5-12/h1-9,11,18,21H,10H2,(H,19,20)/b17-11+
Molecular weight
734.04
EINECS
220-530-8
SMILES
C([C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCC)=O)OP(OCC[N+](C)(C)C)(=O)[O-]
InChI
KILNVBDSWZSGLL-UHFFFAOYSA-N
InChIKey
1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3
Class
