3-(6-methylheptyl)-4-oxidanyl-benzene-1,2-disulfonic acid

Systemtic Name: 3-(6-methylheptyl)-4-oxidanyl-benzene-1,2-disulfonic acid Openeye Name: 4-hydroxy-3-(6-methylheptyl)benzene-1,2-disulfonic acid CAS Name: 4-hydroxy-3-(6-methylheptyl)benzene-1,2-disulfonic acid IUPAC Name: 4-hydroxy-3-(6-methylheptyl)benzene-1,2-disulfonic acid Traditional Name: 4-hydroxy-3-(6-methylheptyl)benzene-1,2-disulfonic acid Formula: C14H22O7S2 MolecularWeight: 366.45028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC1=C(C=CC(=C1S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

CC(C)CCCCCC1=C(C=CC(=C1S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C14H22O7S2/c1-10(2)6-4-3-5-7-11-12(15)8-9-13(22(16,17)18)14(11)23(19,20)21/h8-10,15H,3-7H2,1-2H3,(H,16,17,18)(H,19,20,21)