cyclohexa-1,5-dien-1-yl-[cyclohexa-1,5-dien-1-yl(sulfo)carbamoyl]sulfamic acid

Systemtic Name: cyclohexa-1,5-dien-1-yl-[cyclohexa-1,5-dien-1-yl(sulfo)carbamoyl]sulfamic acid Openeye Name: cyclohexa-1,5-dien-1-yl-[cyclohexa-1,5-dien-1-yl(sulfo)carbamoyl]sulfamic acid CAS Name: 1-cyclohexa-1,5-dienyl-[[1-cyclohexa-1,5-dienyl(sulfo)amino]-oxomethyl]sulfamic acid IUPAC Name: cyclohexa-1,5-dien-1-yl-[cyclohexa-1,5-dien-1-yl(sulfo)carbamoyl]sulfamic acid Traditional Name: cyclohexa-1,5-dien-1-yl-[cyclohexa-1,5-dien-1-yl(sulfo)carbamoyl]sulfamic acid Formula: C13H16N2O7S2 MolecularWeight: 376.40534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C=C1)N(C(=O)N(C2=CCCC=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1CC=C(C=C1)N(C(=O)N(C2=CCCC=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H16N2O7S2/c16-13(14(23(17,18)19)11-7-3-1-4-8-11)15(24(20,21)22)12-9-5-2-6-10-12/h3,5,7-10H,1-2,4,6H2,(H,17,18,19)(H,20,21,22)