[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-hexanoylsulfanylethanoate; methylsulfinylmethane

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-hexanoylsulfanylethanoate; methylsulfinylmethane 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-hexanoylsulfanylacetate; methylsulfinylmethane CAS Name: methylsulfinylmethane; 2-(1-oxohexylthio)acetic 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 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-hexanoylsulfanylacetate; methylsulfinylmethane Traditional Name: 2-(caproylthio)acetic 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; methylsulfinylmethane Formula: C37H47NO14S2 MolecularWeight: 793.89738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)SCC(=O)OCC(=O)C1(CC(C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)OC5CC(C(C(O5)C)O)N)O.CS(=O)C

Isomeric SMILES

CCCCCC(=O)SCC(=O)OCC(=O)C1(CC(C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)OC5CC(C(C(O5)C)O)N)O.CS(=O)C

InChI

InChI=1S/C35H41NO13S.C2H6OS/c1-4-5-6-10-24(39)50-15-23(38)47-14-22(37)35(45)12-18-27(21(13-35)49-25-11-19(36)30(40)16(2)48-25)34(44)29-28(32(18)42)31(41)17-8-7-9-20(46-3)26(17)33(29)43;1-4(2)3/h7-9,16,19,21,25,30,40,42,44-45H,4-6,10-15,36H2,1-3H3;1-2H3