4-azanyl-3-butyl-cyclohexa-1,5-diene-1,3-disulfonic acid

Systemtic Name: 4-azanyl-3-butyl-cyclohexa-1,5-diene-1,3-disulfonic acid Openeye Name: 4-amino-3-butyl-cyclohexa-1,5-diene-1,3-disulfonic acid CAS Name: 4-amino-3-butylcyclohexa-1,5-diene-1,3-disulfonic acid IUPAC Name: 4-amino-3-butylcyclohexa-1,5-diene-1,3-disulfonic acid Traditional Name: 4-amino-3-butyl-cyclohexa-1,5-diene-1,3-disulfonic acid Formula: C10H17NO6S2 MolecularWeight: 311.37508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C=C(C=CC1N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCC1(C=C(C=CC1N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C10H17NO6S2/c1-2-3-6-10(19(15,16)17)7-8(18(12,13)14)4-5-9(10)11/h4-5,7,9H,2-3,6,11H2,1H3,(H,12,13,14)(H,15,16,17)