[10,13-dimethyl-17-(6-methylheptan-2-yl)-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: [10,13-dimethyl-17-(6-methylheptan-2-yl)-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-(1,5-dimethylhexyl)-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: [10,13-dimethyl-17-(6-methylheptan-2-yl)-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: [10,13-dimethyl-17-(6-methylheptan-2-yl)-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-(1,5-dimethylhexyl)-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: C74H116O6Ti+4 MolecularWeight: 1149.57624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C27H46O.2C10H10O2.Ti/c2*1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5;2*1-8(11)7-10(12)9-5-3-2-4-6-9;/h2*9,18-19,21-25,28H,6-8,10-17H2,1-5H3;2*2-7,11H,1H3;/p+4/b;;2*8-7-;