2,6-ditert-butylnaphthalene-1,5-disulfonic acid; 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol

Systemtic Name: 2,6-ditert-butylnaphthalene-1,5-disulfonic acid; 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol Openeye Name: 2,6-ditert-butylnaphthalene-1,5-disulfonic acid; 1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol CAS Name: 2,6-ditert-butylnaphthalene-1,5-disulfonic acid; 1-(1-naphthalenyloxy)-3-(propan-2-ylamino)-2-propanol IUPAC Name: 2,6-ditert-butylnaphthalene-1,5-disulfonic acid; 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol Traditional Name: 2,6-ditert-butylnaphthalene-1,5-disulfonic acid; 1-(isopropylamino)-3-(1-naphthoxy)propan-2-ol Formula: C34H45NO8S2 MolecularWeight: 659.853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.CC(C)(C)C1=C(C2=C(C=C1)C(=C(C=C2)C(C)(C)C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.CC(C)(C)C1=C(C2=C(C=C1)C(=C(C=C2)C(C)(C)C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H24O6S2.C16H21NO2/c1-17(2,3)13-9-7-12-11(15(13)25(19,20)21)8-10-14(18(4,5)6)16(12)26(22,23)24;1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h7-10H,1-6H3,(H,19,20,21)(H,22,23,24);3-9,12,14,17-18H,10-11H2,1-2H3