[3-(chrysen-6-ylmethylamino)-3-methyl-2,5-bis(oxidanyl)pentyl] methanesulfonate

Systemtic Name: [3-(chrysen-6-ylmethylamino)-3-methyl-2,5-bis(oxidanyl)pentyl] methanesulfonate Openeye Name: [3-(chrysen-6-ylmethylamino)-2,5-dihydroxy-3-methyl-pentyl] methanesulfonate CAS Name: methanesulfonic acid [3-(6-chrysenylmethylamino)-2,5-dihydroxy-3-methylpentyl] ester IUPAC Name: [3-(chrysen-6-ylmethylamino)-2,5-dihydroxy-3-methylpentyl] methanesulfonate Traditional Name: methanesulfonic acid [3-(chrysen-6-ylmethylamino)-2,5-dihydroxy-3-methyl-pentyl] ester Formula: C26H29NO5S MolecularWeight: 467.57716

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCO)(C(COS(=O)(=O)C)O)NCC1=CC2=C(C=CC3=CC=CC=C32)C4=CC=CC=C41

Isomeric SMILES

CC(CCO)(C(COS(=O)(=O)C)O)NCC1=CC2=C(C=CC3=CC=CC=C32)C4=CC=CC=C41

InChI

InChI=1S/C26H29NO5S/c1-26(13-14-28,25(29)17-32-33(2,30)31)27-16-19-15-24-20-8-4-3-7-18(20)11-12-23(24)22-10-6-5-9-21(19)22/h3-12,15,25,27-29H,13-14,16-17H2,1-2H3