cyclohexanamine; 5,7-di(propan-2-yl)naphthalene-2-sulfonic acid

Systemtic Name: cyclohexanamine; 5,7-di(propan-2-yl)naphthalene-2-sulfonic acid Openeye Name: cyclohexanamine; 5,7-diisopropylnaphthalene-2-sulfonic acid CAS Name: cyclohexanamine; 5,7-di(propan-2-yl)-2-naphthalenesulfonic acid IUPAC Name: cyclohexanamine; 5,7-di(propan-2-yl)naphthalene-2-sulfonic acid Traditional Name: cyclohexylamine; 5,7-diisopropylnaphthalene-2-sulfonic acid Formula: C22H33NO3S MolecularWeight: 391.56732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C=CC(=CC2=C1)S(=O)(=O)O)C(C)C.C1CCC(CC1)N

Isomeric SMILES

CC(C)C1=CC(=C2C=CC(=CC2=C1)S(=O)(=O)O)C(C)C.C1CCC(CC1)N

InChI

InChI=1S/C16H20O3S.C6H13N/c1-10(2)12-7-13-8-14(20(17,18)19)5-6-15(13)16(9-12)11(3)4;7-6-4-2-1-3-5-6/h5-11H,1-4H3,(H,17,18,19);6H,1-5,7H2