4-azanyl-1-(2-methylnonan-3-yloxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid

Systemtic Name: 4-azanyl-1-(2-methylnonan-3-yloxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: 4-amino-1-(1-isopropylheptoxy)-1,4-dioxo-butane-2-sulfonic acid CAS Name: 4-amino-1-(2-methylnonan-3-yloxy)-1,4-dioxo-2-butanesulfonic acid IUPAC Name: 4-amino-1-(2-methylnonan-3-yloxy)-1,4-dioxobutane-2-sulfonic acid Traditional Name: 4-amino-1-(1-isopropylheptoxy)-1,4-diketo-butane-2-sulfonic acid Formula: C14H27NO6S MolecularWeight: 337.43228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)C)OC(=O)C(CC(=O)N)S(=O)(=O)O

Isomeric SMILES

CCCCCCC(C(C)C)OC(=O)C(CC(=O)N)S(=O)(=O)O

InChI

InChI=1S/C14H27NO6S/c1-4-5-6-7-8-11(10(2)3)21-14(17)12(9-13(15)16)22(18,19)20/h10-12H,4-9H2,1-3H3,(H2,15,16)(H,18,19,20)