bis[2-(5-azanyl-1,4-dimethoxy-cyclohexa-2,4-dien-1-yl)sulfonylethyl] sulfate

Systemtic Name: bis[2-(5-azanyl-1,4-dimethoxy-cyclohexa-2,4-dien-1-yl)sulfonylethyl] sulfate Openeye Name: bis[2-(5-amino-1,4-dimethoxy-cyclohexa-2,4-dien-1-yl)sulfonylethyl] sulfate CAS Name: sulfuric acid bis[2-[(5-amino-1,4-dimethoxy-1-cyclohexa-2,4-dienyl)sulfonyl]ethyl] ester IUPAC Name: bis[2-(5-amino-1,4-dimethoxycyclohexa-2,4-dien-1-yl)sulfonylethyl] sulfate Traditional Name: sulfuric acid bis[2-(5-amino-1,4-dimethoxy-cyclohexa-2,4-dien-1-yl)sulfonylethyl] ester Formula: C20H32N2O12S3 MolecularWeight: 588.66928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(CC(C=C1)(OC)S(=O)(=O)CCOS(=O)(=O)OCCS(=O)(=O)C2(CC(=C(C=C2)OC)N)OC)N

Isomeric SMILES

COC1=C(CC(C=C1)(OC)S(=O)(=O)CCOS(=O)(=O)OCCS(=O)(=O)C2(CC(=C(C=C2)OC)N)OC)N

InChI

InChI=1S/C20H32N2O12S3/c1-29-17-5-7-19(31-3,13-15(17)21)35(23,24)11-9-33-37(27,28)34-10-12-36(25,26)20(32-4)8-6-18(30-2)16(22)14-20/h5-8H,9-14,21-22H2,1-4H3