(17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxidanium; [(Z)-3-oxidanyl-1-phenyl-but-2-enylidene]oxidanium; titanium

Systemtic Name: (17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxidanium; [(Z)-3-oxidanyl-1-phenyl-but-2-enylidene]oxidanium; titanium Openeye Name: (17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxonium; [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; titanium CAS Name: (17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxonium; [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxonium; titanium IUPAC Name: (17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxidanium; [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxidanium; titanium Traditional Name: (17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxonium; [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; titanium Formula: C62H88O8Ti+4 MolecularWeight: 1009.22432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=[OH+])C1=CC=CC=C1)O.CC(=CC(=[OH+])C1=CC=CC=C1)O.CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[OH2+])C)C.CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[OH2+])C)C.[Ti]

Isomeric SMILES

C/C(=C/C(=[OH+])C1=CC=CC=C1)/O.C/C(=C/C(=[OH+])C1=CC=CC=C1)/O.CC(=O)C1C2(C(C3C(C4(C(=CC3)CC(CC4)[OH2+])C)CC2)CC1)C.CC(=O)C1C2(C(C3C(C4(C(=CC3)CC(CC4)[OH2+])C)CC2)CC1)C.[Ti]

InChI

InChI=1S/2C21H32O2.2C10H10O2.Ti/c2*1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3;2*1-8(11)7-10(12)9-5-3-2-4-6-9;/h2*4,15-19,23H,5-12H2,1-3H3;2*2-7,11H,1H3;/p+4/b;;2*8-7-;