sodium 3-[[2-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methoxy]-3-oxidanylidene-propanoyl]amino]-3-methoxy-2-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: sodium 3-[[2-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methoxy]-3-oxidanylidene-propanoyl]amino]-3-methoxy-2-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium 3-[[2-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methoxy]-3-oxo-propanoyl]amino]-3-methoxy-2-oxo-azetidine-1-sulfonate CAS Name: sodium 3-[[2-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methoxy]-1,3-dioxopropyl]amino]-3-methoxy-2-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-[[2-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methoxy]-3-oxopropanoyl]amino]-3-methoxy-2-oxoazetidine-1-sulfonate Traditional Name: sodium 3-[[2-(4-hydroxyphenyl)-3-keto-3-p-anisyloxy-propanoyl]amino]-2-keto-3-methoxy-azetidine-1-sulfonate Formula: C21H21N2NaO10S MolecularWeight: 516.45361

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C(C2=CC=C(C=C2)O)C(=O)NC3(CN(C3=O)S(=O)(=O)[O-])OC.[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C(C2=CC=C(C=C2)O)C(=O)NC3(CN(C3=O)S(=O)(=O)[O-])OC.[Na+]

InChI

InChI=1S/C21H22N2O10S.Na/c1-31-16-9-3-13(4-10-16)11-33-19(26)17(14-5-7-15(24)8-6-14)18(25)22-21(32-2)12-23(20(21)27)34(28,29)30;/h3-10,17,24H,11-12H2,1-2H3,(H,22,25)(H,28,29,30);/q;+1/p-1