sodium 3,4-di(propan-2-yl)naphthalene-1,2-disulfonate

Systemtic Name: sodium 3,4-di(propan-2-yl)naphthalene-1,2-disulfonate Openeye Name: sodium 3,4-diisopropylnaphthalene-1,2-disulfonate CAS Name: sodium 3,4-di(propan-2-yl)naphthalene-1,2-disulfonate IUPAC Name: sodium 3,4-di(propan-2-yl)naphthalene-1,2-disulfonate Traditional Name: sodium 3,4-diisopropylnaphthalene-1,2-disulfonate Formula: C16H18NaO6S2- MolecularWeight: 393.43029

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C(C)C.[Na+]

Isomeric SMILES

CC(C)C1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C(C)C.[Na+]

InChI

InChI=1S/C16H20O6S2.Na/c1-9(2)13-11-7-5-6-8-12(11)15(23(17,18)19)16(24(20,21)22)14(13)10(3)4;/h5-10H,1-4H3,(H,17,18,19)(H,20,21,22);/q;+1/p-2