disodium 1-methyl-2,3-dinaphthalen-1-yl-4-propan-2-yl-cyclohexane-1,2-disulfonate

Systemtic Name: disodium 1-methyl-2,3-dinaphthalen-1-yl-4-propan-2-yl-cyclohexane-1,2-disulfonate Openeye Name: disodium 4-isopropyl-1-methyl-2,3-bis(1-naphthyl)cyclohexane-1,2-disulfonate CAS Name: disodium 1-methyl-2,3-bis(1-naphthalenyl)-4-propan-2-ylcyclohexane-1,2-disulfonate IUPAC Name: disodium 1-methyl-2,3-dinaphthalen-1-yl-4-propan-2-ylcyclohexane-1,2-disulfonate Traditional Name: disodium 4-isopropyl-1-methyl-2,3-bis(1-naphthyl)cyclohexane-1,2-disulfonate Formula: C30H30Na2O6S2 MolecularWeight: 596.66514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(C(C1C2=CC=CC3=CC=CC=C32)(C4=CC=CC5=CC=CC=C54)S(=O)(=O)[O-])(C)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)C1CCC(C(C1C2=CC=CC3=CC=CC=C32)(C4=CC=CC5=CC=CC=C54)S(=O)(=O)[O-])(C)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C30H32O6S2.2Na/c1-20(2)23-18-19-29(3,37(31,32)33)30(38(34,35)36,27-17-9-13-22-11-5-7-15-25(22)27)28(23)26-16-8-12-21-10-4-6-14-24(21)26;;/h4-17,20,23,28H,18-19H2,1-3H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2