3,8-ditert-butylnaphthalene-2,6-disulfonic acid; 6-(dimethylamino)-4,4-diphenyl-hexan-3-one

Systemtic Name: 3,8-ditert-butylnaphthalene-2,6-disulfonic acid; 6-(dimethylamino)-4,4-diphenyl-hexan-3-one Openeye Name: 3,8-ditert-butylnaphthalene-2,6-disulfonic acid; 6-(dimethylamino)-4,4-diphenyl-hexan-3-one CAS Name: 3,8-ditert-butylnaphthalene-2,6-disulfonic acid; 6-(dimethylamino)-4,4-diphenyl-3-hexanone IUPAC Name: 3,8-ditert-butylnaphthalene-2,6-disulfonic acid; 6-(dimethylamino)-4,4-diphenylhexan-3-one Traditional Name: 3,8-ditert-butylnaphthalene-2,6-disulfonic acid; 6-(dimethylamino)-4,4-diphenyl-hexan-3-one Formula: C38H49NO7S2 MolecularWeight: 695.92816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.CC(C)(C)C1=CC(=CC2=CC(=C(C=C21)S(=O)(=O)O)C(C)(C)C)S(=O)(=O)O

Isomeric SMILES

CCC(=O)C(CCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.CC(C)(C)C1=CC(=CC2=CC(=C(C=C21)S(=O)(=O)O)C(C)(C)C)S(=O)(=O)O

InChI

InChI=1S/C20H25NO.C18H24O6S2/c1-4-19(22)20(15-16-21(2)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18;1-17(2,3)14-9-12(25(19,20)21)7-11-8-15(18(4,5)6)16(10-13(11)14)26(22,23)24/h5-14H,4,15-16H2,1-3H3;7-10H,1-6H3,(H,19,20,21)(H,22,23,24)