2-(chrysen-6-ylmethylamino)-2-methyl-propane-1,3-diol; 2-oxidanylethanesulfonic acid

Systemtic Name: 2-(chrysen-6-ylmethylamino)-2-methyl-propane-1,3-diol; 2-oxidanylethanesulfonic acid Openeye Name: 2-(chrysen-6-ylmethylamino)-2-methyl-propane-1,3-diol; 2-hydroxyethanesulfonic acid CAS Name: 2-(6-chrysenylmethylamino)-2-methylpropane-1,3-diol; 2-hydroxyethanesulfonic acid IUPAC Name: 2-(chrysen-6-ylmethylamino)-2-methylpropane-1,3-diol; 2-hydroxyethanesulfonic acid Traditional Name: 2-(chrysen-6-ylmethylamino)-2-methyl-propane-1,3-diol; 2-hydroxyethanesulfonic acid Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=CC2=C(C=CC3=CC=CC=C32)C4=CC=CC=C41.C(CS(=O)(=O)O)O

Isomeric SMILES

CC(CO)(CO)NCC1=CC2=C(C=CC3=CC=CC=C32)C4=CC=CC=C41.C(CS(=O)(=O)O)O

InChI

InChI=1S/C23H23NO2.C2H6O4S/c1-23(14-25,15-26)24-13-17-12-22-18-7-3-2-6-16(18)10-11-21(22)20-9-5-4-8-19(17)20;3-1-2-7(4,5)6/h2-12,24-26H,13-15H2,1H3;3H,1-2H2,(H,4,5,6)