[2-(3-cyclohexylpropanoyl)-6-(2-cyclopentylethyl)-1,10,11,12a-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate

Systemtic Name: [2-(3-cyclohexylpropanoyl)-6-(2-cyclopentylethyl)-1,10,11,12a-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate Openeye Name: [2-(3-cyclohexylpropanoyl)-6-(2-cyclopentylethyl)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate CAS Name: propanoic acid [2-(3-cyclohexyl-1-oxopropyl)-6-(2-cyclopentylethyl)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] ester IUPAC Name: [2-(3-cyclohexylpropanoyl)-6-(2-cyclopentylethyl)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate Traditional Name: propionic acid [2-(3-cyclohexylpropanoyl)-6-(2-cyclopentylethyl)-1,10,11,12a-tetrahydroxy-3,12-diketo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] ester Formula: C37H46O9 MolecularWeight: 634.75574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1C2CC(=O)C(=C(C2(C(=O)C3=C(C4=C(C=CC=C4O)C(C13)CCC5CCCC5)O)O)O)C(=O)CCC6CCCCC6

Isomeric SMILES

CCC(=O)OC1C2CC(=O)C(=C(C2(C(=O)C3=C(C4=C(C=CC=C4O)C(C13)CCC5CCCC5)O)O)O)C(=O)CCC6CCCCC6

InChI

InChI=1S/C37H46O9/c1-2-28(41)46-34-24-19-27(40)31(26(39)18-16-21-9-4-3-5-10-21)35(43)37(24,45)36(44)32-30(34)23(17-15-20-11-6-7-12-20)22-13-8-14-25(38)29(22)33(32)42/h8,13-14,20-21,23-24,30,34,38,42-43,45H,2-7,9-12,15-19H2,1H3