sodium [4-[(4-butan-2-ylphenyl)methoxy]phenyl]-oxidanyl-methanesulfonate

Systemtic Name: sodium [4-[(4-butan-2-ylphenyl)methoxy]phenyl]-oxidanyl-methanesulfonate Openeye Name: sodium hydroxy-[4-[(4-sec-butylphenyl)methoxy]phenyl]methanesulfonate CAS Name: sodium [4-[(4-butan-2-ylphenyl)methoxy]phenyl]-hydroxymethanesulfonate IUPAC Name: sodium [4-[(4-butan-2-ylphenyl)methoxy]phenyl]-hydroxymethanesulfonate Traditional Name: sodium hydroxy-[4-(4-sec-butylbenzyl)oxyphenyl]methanesulfonate Formula: C18H21NaO5S MolecularWeight: 372.41111

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)COC2=CC=C(C=C2)C(O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)COC2=CC=C(C=C2)C(O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H22O5S.Na/c1-3-13(2)15-6-4-14(5-7-15)12-23-17-10-8-16(9-11-17)18(19)24(20,21)22;/h4-11,13,18-19H,3,12H2,1-2H3,(H,20,21,22);/q;+1/p-1