3-nonanoyloxybenzene-1,2-disulfonate

Systemtic Name: 3-nonanoyloxybenzene-1,2-disulfonate Openeye Name: 3-nonanoyloxybenzene-1,2-disulfonate CAS Name: 3-(1-oxononoxy)benzene-1,2-disulfonate IUPAC Name: 3-nonanoyloxybenzene-1,2-disulfonate Traditional Name: 3-pelargonyloxybenzene-1,2-disulfonate Formula: C15H20O8S2-2 MolecularWeight: 392.4445

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=C(C(=CC=C1)S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCC(=O)OC1=C(C(=CC=C1)S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C15H22O8S2/c1-2-3-4-5-6-7-11-14(16)23-12-9-8-10-13(24(17,18)19)15(12)25(20,21)22/h8-10H,2-7,11H2,1H3,(H,17,18,19)(H,20,21,22)/p-2