[2-[4-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-7-methoxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]-2-oxidanylidene-ethyl] 2-oxidanylethanoate hydrochloride

Systemtic Name: [2-[4-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-7-methoxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]-2-oxidanylidene-ethyl] 2-oxidanylethanoate hydrochloride Openeye Name: [2-[4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxo-ethyl] 2-hydroxyacetate hydrochloride CAS Name: 2-hydroxyacetic acid [2-[4-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] ester hydrochloride IUPAC Name: [2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] 2-hydroxyacetate hydrochloride Traditional Name: 2-hydroxyacetic acid [2-[4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-6,11-diketo-7-methoxy-3,4-dihydro-1H-tetracen-2-yl]-2-keto-ethyl] ester hydrochloride Formula: C29H32ClNO13 MolecularWeight: 638.01628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)COC(=O)CO)O)N)O.Cl

Isomeric SMILES

CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)COC(=O)CO)O)N)O.Cl

InChI

InChI=1S/C29H31NO13.ClH/c1-11-24(34)14(30)6-19(42-11)43-16-8-29(39,17(32)10-41-18(33)9-31)7-13-21(16)28(38)23-22(26(13)36)25(35)12-4-3-5-15(40-2)20(12)27(23)37;/h3-5,11,14,16,19,24,31,34,36,38-39H,6-10,30H2,1-2H3;1H