3,6-ditert-butylnaphthalene-1-sulfonic acid; 2-(dimethylamino)-1-phenothiazin-10-yl-ethanone

Systemtic Name: 3,6-ditert-butylnaphthalene-1-sulfonic acid; 2-(dimethylamino)-1-phenothiazin-10-yl-ethanone Openeye Name: 3,6-ditert-butylnaphthalene-1-sulfonic acid; 2-(dimethylamino)-1-phenothiazin-10-yl-ethanone CAS Name: 3,6-ditert-butyl-1-naphthalenesulfonic acid; 2-(dimethylamino)-1-(10-phenothiazinyl)ethanone IUPAC Name: 3,6-ditert-butylnaphthalene-1-sulfonic acid; 2-(dimethylamino)-1-phenothiazin-10-ylethanone Traditional Name: 3,6-ditert-butylnaphthalene-1-sulfonic acid; 2-(dimethylamino)-1-phenothiazin-10-yl-ethanone Formula: C34H40N2O4S2 MolecularWeight: 604.8224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=CC(=CC(=C2C=C1)S(=O)(=O)O)C(C)(C)C.CN(C)CC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31

Isomeric SMILES

CC(C)(C)C1=CC2=CC(=CC(=C2C=C1)S(=O)(=O)O)C(C)(C)C.CN(C)CC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C18H24O3S.C16H16N2OS/c1-17(2,3)13-7-8-15-12(9-13)10-14(18(4,5)6)11-16(15)22(19,20)21;1-17(2)11-16(19)18-12-7-3-5-9-14(12)20-15-10-6-4-8-13(15)18/h7-11H,1-6H3,(H,19,20,21);3-10H,11H2,1-2H3