4-[4-(4-methoxycarbonyl-4-methyl-hexan-2-yl)phenoxy]butane-1-sulfonic acid

Systemtic Name: 4-[4-(4-methoxycarbonyl-4-methyl-hexan-2-yl)phenoxy]butane-1-sulfonic acid Openeye Name: 4-[4-(3-methoxycarbonyl-1,3-dimethyl-pentyl)phenoxy]butane-1-sulfonic acid CAS Name: 4-[4-(4-methoxycarbonyl-4-methylhexan-2-yl)phenoxy]-1-butanesulfonic acid IUPAC Name: 4-[4-(4-methoxycarbonyl-4-methylhexan-2-yl)phenoxy]butane-1-sulfonic acid Traditional Name: 4-[4-(3-carbomethoxy-1,3-dimethyl-pentyl)phenoxy]butane-1-sulfonic acid Formula: C19H30O6S MolecularWeight: 386.5029

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)C1=CC=C(C=C1)OCCCCS(=O)(=O)O)C(=O)OC

Isomeric SMILES

CCC(C)(CC(C)C1=CC=C(C=C1)OCCCCS(=O)(=O)O)C(=O)OC

InChI

InChI=1S/C19H30O6S/c1-5-19(3,18(20)24-4)14-15(2)16-8-10-17(11-9-16)25-12-6-7-13-26(21,22)23/h8-11,15H,5-7,12-14H2,1-4H3,(H,21,22,23)