sodium [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] sulfate

Systemtic Name: sodium [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] sulfate Openeye Name: sodium [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] sulfate CAS Name: sodium [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] sulfate IUPAC Name: sodium [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] sulfate Traditional Name: sodium [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] sulfate Formula: C18H21NaO8S MolecularWeight: 420.40931

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H22O8S.Na/c1-22-14-8-7-12(9-15(14)26-27(19,20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3;/h7-11H,5-6H2,1-4H3,(H,19,20,21);/q;+1/p-1