[3-ethenyl-3,4a,7,7,10a-pentamethyl-10,10b-bis(oxidanyl)-1-oxidanylidene-5,8,9,10-tetrahydro-2H-benzo[f]chromen-5-yl] 2-(diethylamino)ethanoate hydrate hydrochloride

Systemtic Name: [3-ethenyl-3,4a,7,7,10a-pentamethyl-10,10b-bis(oxidanyl)-1-oxidanylidene-5,8,9,10-tetrahydro-2H-benzo[f]chromen-5-yl] 2-(diethylamino)ethanoate hydrate hydrochloride Openeye Name: (10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,8,9,10-tetrahydro-2H-benzo[f]chromen-5-yl) 2-(diethylamino)acetate hydrate hydrochloride CAS Name: 2-(diethylamino)acetic acid (3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,8,9,10-tetrahydro-2H-benzo[f][1]benzopyran-5-yl) ester hydrate hydrochloride IUPAC Name: (3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,8,9,10-tetrahydro-2H-benzo[f]chromen-5-yl) 2-(diethylamino)acetate hydrate hydrochloride Traditional Name: 2-(diethylamino)acetic acid (10,10b-dihydroxy-1-keto-3,4a,7,7,10a-pentamethyl-3-vinyl-5,8,9,10-tetrahydro-2H-benzo[f]chromen-5-yl) ester hydrate hydrochloride Formula: C26H44ClNO7 MolecularWeight: 518.08306

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(=O)OC1C=C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C.O.Cl

Isomeric SMILES

CCN(CC)CC(=O)OC1C=C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C.O.Cl

InChI

InChI=1S/C26H41NO6.ClH.H2O/c1-9-23(6)15-19(29)26(31)24(7)17(22(4,5)13-12-18(24)28)14-20(25(26,8)33-23)32-21(30)16-27(10-2)11-3;;/h9,14,18,20,28,31H,1,10-13,15-16H2,2-8H3;1H;1H2